N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide

C11H21N3O3 — CID 164710684

IUPACN-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide
SMILESCCCC(=O)N(C)CC(=O)NC(C)C(=O)NC
InChIInChI=1S/C11H21N3O3/c1-5-6-10(16)14(4)7-9(15)13-8(2)11(17)12-3/h8H,5-7H2,1-4H3,(H,12,17)(H,13,15)
InChIKeyMWACGYSROJMPPX-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.50
Rot. Bonds6

About N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide

N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide (PubChem CID 164710684) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide
PubChem CID164710684
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide
SMILESCCCC(=O)N(C)CC(=O)NC(C)C(=O)NC
InChIInChI=1S/C11H21N3O3/c1-5-6-10(16)14(4)7-9(15)13-8(2)11(17)12-3/h8H,5-7H2,1-4H3,(H,12,17)(H,13,15)
InChIKeyMWACGYSROJMPPX-UHFFFAOYSA-N
XLogP-0.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-[butanoyl(methyl)amino]acetyl]-methylamino]-4-methyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pentanamide
CID 88911665
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
N-methyl-N-[2-(methylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107022688
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
3-(ethylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 62833977
3-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 62232320
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
ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate
CID 60659458
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
5-hydroxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 79198624
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
CID 119272108
ethane;2-[methyl-[2-[methyl(propyl)amino]acetyl]amino]-N-propan-2-ylacetamide
CID 142388460

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide?
The IUPAC name of N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide (CID 164710684) is N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide?
The canonical SMILES for N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide is CCCC(=O)N(C)CC(=O)NC(C)C(=O)NC.
What is the InChIKey of N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide?
The InChIKey is MWACGYSROJMPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-5-6-10(16)14(4)7-9(15)13-8(2)11(17)12-3/h8H,5-7H2,1-4H3,(H,12,17)(H,13,15).
What are the key properties of N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide?
N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide has a molecular weight of 243.31 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 164710684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).