2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide

C11H22N2O2 — CID 19826425

IUPAC2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
SMILESCCCC(C=O)NC(=O)C(N)CC(C)C
InChIInChI=1S/C11H22N2O2/c1-4-5-9(7-14)13-11(15)10(12)6-8(2)3/h7-10H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyYWQSWYUVPBMEQV-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.84
Rot. Bonds7

About 2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide

2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide (PubChem CID 19826425) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
PubChem CID19826425
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
SMILESCCCC(C=O)NC(=O)C(N)CC(C)C
InChIInChI=1S/C11H22N2O2/c1-4-5-9(7-14)13-11(15)10(12)6-8(2)3/h7-10H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyYWQSWYUVPBMEQV-UHFFFAOYSA-N
XLogP0.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
2-amino-4-methyl-N-(1-oxo-3-sulfanylpropan-2-yl)pentanamide
CID 173010831
(2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide
CID 88560908
2-amino-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-methylpentanamide;1,1-diethoxyethane
CID 87743939
2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
(2S)-2,6-diamino-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 54330338
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(1-oxopentan-2-ylamino)pentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 53230012
N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide
CID 170202980
(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61470844
(2S)-2-amino-N-butanoyl-4-methylpentanamide
CID 150853762

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide (CID 19826425) is 2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide is CCCC(C=O)NC(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide?
The InChIKey is YWQSWYUVPBMEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-5-9(7-14)13-11(15)10(12)6-8(2)3/h7-10H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of 2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide?
2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide has a molecular weight of 214.31 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide is sourced from PubChem (CID 19826425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).