4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide

C14H29N3O2 — CID 166698451

IUPAC4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide
SMILESCCCNC(=O)C(CC(C)C)NC(=O)C(CC)NC
InChIInChI=1S/C14H29N3O2/c1-6-8-16-13(18)12(9-10(3)4)17-14(19)11(7-2)15-5/h10-12,15H,6-9H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyWWVUXLAVFINGFG-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.04
Rot. Bonds9

About 4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide

4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide (PubChem CID 166698451) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide.

Molecular Properties

Compound Name4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide
PubChem CID166698451
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide
SMILESCCCNC(=O)C(CC(C)C)NC(=O)C(CC)NC
InChIInChI=1S/C14H29N3O2/c1-6-8-16-13(18)12(9-10(3)4)17-14(19)11(7-2)15-5/h10-12,15H,6-9H2,1-5H3,(H,16,18)(H,17,19)
InChIKeyWWVUXLAVFINGFG-UHFFFAOYSA-N
XLogP1.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methyl-2-(methylamino)pentanamide
CID 155260519
(2S)-4-methyl-2-(methylamino)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxoheptan-2-yl]amino]pentan-2-yl]pentanamide
CID 156566910
4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide
CID 144649100
(2S)-4-methyl-2-(methylamino)-N-[(3S)-2-methyl-4-oxoheptan-3-yl]pentanamide
CID 71315121
N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide
CID 101082096
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate
CID 175450734
methyl 2-[[(2S)-2,4-dimethylpentanoyl]amino]butanoate
CID 170397026
(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
CID 155260422
2-(carbamoylamino)-N-ethyl-4-methylpentanamide
CID 60636503
N-[(2S)-4-methyl-1-(octylamino)-1-oxopentan-2-yl]octadecanamide
CID 135364151
N-[1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]docosanamide
CID 135364067

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide?
The IUPAC name of 4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide (CID 166698451) is 4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide.
What is the SMILES notation for 4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide?
The canonical SMILES for 4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide is CCCNC(=O)C(CC(C)C)NC(=O)C(CC)NC.
What is the InChIKey of 4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide?
The InChIKey is WWVUXLAVFINGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-8-16-13(18)12(9-10(3)4)17-14(19)11(7-2)15-5/h10-12,15H,6-9H2,1-5H3,(H,16,18)(H,17,19).
What are the key properties of 4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide?
4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide has a molecular weight of 271.40 g/mol, XLogP of 1.04, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide is sourced from PubChem (CID 166698451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).