4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide

C20H39N5O4 — CID 123318733

IUPAC4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C(C)NC(C)(C=O)NC(=O)C(CC(C)C)NC
InChIInChI=1S/C20H39N5O4/c1-12(2)9-15(21-7)19(29)25-20(6,11-26)24-14(5)17(27)23-16(10-13(3)4)18(28)22-8/h11-16,21,24H,9-10H2,1-8H3,(H,22,28)(H,23,27)(H,25,29)
InChIKeyVDQNKHRUAKGKQU-UHFFFAOYSA-N
MW413.56 g/mol
LogP-0.09
Rot. Bonds13

About 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide

4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide (PubChem CID 123318733) has the molecular formula C20H39N5O4 and a molecular weight of 413.56 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide.

Molecular Properties

Compound Name4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide
PubChem CID123318733
Molecular FormulaC20H39N5O4
Molecular Weight413.56 g/mol
Exact Mass413.30
IUPAC Name4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C(C)NC(C)(C=O)NC(=O)C(CC(C)C)NC
InChIInChI=1S/C20H39N5O4/c1-12(2)9-15(21-7)19(29)25-20(6,11-26)24-14(5)17(27)23-16(10-13(3)4)18(28)22-8/h11-16,21,24H,9-10H2,1-8H3,(H,22,28)(H,23,27)(H,25,29)
InChIKeyVDQNKHRUAKGKQU-UHFFFAOYSA-N
XLogP-0.09
TPSA128.43 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 5-0.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide with MolForge

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Related Compounds

4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-2-[methyl-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide
CID 123147003
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
CID 174999957
2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
CID 80542489
2-(2-formamidopropanoylamino)-4-methylpentanoic acid
CID 131864242
(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
CID 155260422
2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
CID 43695584
2-[[2-[(3-hydroxy-2,2-dimethylpropyl)amino]acetyl]amino]-N,4-dimethylpentanamide
CID 142030552
tert-butyl N-[2-hydroxy-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-3-oxopropyl]carbamate
CID 11099595
(2S)-4-methyl-2-(methylamino)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxoheptan-2-yl]amino]pentan-2-yl]pentanamide
CID 156566910
(2S,3R)-2-hydroxy-5-methyl-3-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]hexanoic acid
CID 10805367
2-(methylamino)-N-(4-methylpentan-2-yl)propanamide
CID 62638556

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide?
The IUPAC name of 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide (CID 123318733) is 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide.
What is the SMILES notation for 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide?
The canonical SMILES for 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide is CNC(=O)C(CC(C)C)NC(=O)C(C)NC(C)(C=O)NC(=O)C(CC(C)C)NC.
What is the InChIKey of 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide?
The InChIKey is VDQNKHRUAKGKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5O4/c1-12(2)9-15(21-7)19(29)25-20(6,11-26)24-14(5)17(27)23-16(10-13(3)4)18(28)22-8/h11-16,21,24H,9-10H2,1-8H3,(H,22,28)(H,23,27)(H,25,29).
What are the key properties of 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide?
4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide has a molecular weight of 413.56 g/mol, XLogP of -0.09, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)-N-[2-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanamide is sourced from PubChem (CID 123318733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).