3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide

C39H66N12O13 — CID 156661280

IUPAC3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
SMILESCC(=O)NCCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@@H](C)C(C)=O
InChIInChI=1S/C39H66N12O13/c1-26(27(2)52)41-29(54)16-42(4)31(56)18-44(6)33(58)20-46(8)35(60)22-48(10)37(62)24-50(12)39(64)25-51(13)38(63)23-49(11)36(61)21-47(9)34(59)19-45(7)32(57)17-43(5)30(55)14-15-40-28(3)53/h26H,14-25H2,1-13H3,(H,40,53)(H,41,54)/t26-/m0/s1
InChIKeyKNXPEGSYZHLFBM-SANMLTNESA-N
MW911.03 g/mol
LogP-5.81
Rot. Bonds25

About 3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide

3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide (PubChem CID 156661280) has the molecular formula C39H66N12O13 and a molecular weight of 911.03 g/mol. Its IUPAC name is 3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
PubChem CID156661280
Molecular FormulaC39H66N12O13
Molecular Weight911.03 g/mol
Exact Mass910.49
IUPAC Name3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
SMILESCC(=O)NCCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@@H](C)C(C)=O
InChIInChI=1S/C39H66N12O13/c1-26(27(2)52)41-29(54)16-42(4)31(56)18-44(6)33(58)20-46(8)35(60)22-48(10)37(62)24-50(12)39(64)25-51(13)38(63)23-49(11)36(61)21-47(9)34(59)19-45(7)32(57)17-43(5)30(55)14-15-40-28(3)53/h26H,14-25H2,1-13H3,(H,40,53)(H,41,54)/t26-/m0/s1
InChIKeyKNXPEGSYZHLFBM-SANMLTNESA-N
XLogP-5.81
TPSA278.37 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.03
LogP ≤ 5-5.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[3-acetamidopropanoyl(methyl)amino]acetate
CID 43407517
N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide
CID 164710684
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60854503
3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855
N-(3-oxobutan-2-yl)propanamide
CID 22943760
3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
CID 16583098
3-amino-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 165148153
3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107202880
5-hydroxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 79198624
4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
CID 129136562
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
CID 119272108
3-(ethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 62833977

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The IUPAC name of 3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide (CID 156661280) is 3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for 3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide is CC(=O)NCCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@@H](C)C(C)=O.
What is the InChIKey of 3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The InChIKey is KNXPEGSYZHLFBM-SANMLTNESA-N. The full InChI is InChI=1S/C39H66N12O13/c1-26(27(2)52)41-29(54)16-42(4)31(56)18-44(6)33(58)20-46(8)35(60)22-48(10)37(62)24-50(12)39(64)25-51(13)38(63)23-49(11)36(61)21-47(9)34(59)19-45(7)32(57)17-43(5)30(55)14-15-40-28(3)53/h26H,14-25H2,1-13H3,(H,40,53)(H,41,54)/t26-/m0/s1.
What are the key properties of 3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide?
3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide has a molecular weight of 911.03 g/mol, XLogP of -5.81, 25 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-oxo-2-[[(2S)-3-oxobutan-2-yl]amino]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 156661280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).