N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide

C9H18N2O2 — CID 88911666

IUPACN-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC(C)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-6(2)4-5-8(12)11-7(3)9(10)13/h6-7H,4-5H2,1-3H3,(H2,10,13)(H,11,12)
InChIKeyZHJOWMNHMZVUJY-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.41
Rot. Bonds5

About N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide

N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide (PubChem CID 88911666) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
PubChem CID88911666
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC(C)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-6(2)4-5-8(12)11-7(3)9(10)13/h6-7H,4-5H2,1-3H3,(H2,10,13)(H,11,12)
InChIKeyZHJOWMNHMZVUJY-UHFFFAOYSA-N
XLogP0.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
CID 54110104
2-(3-chloropropanoylamino)propanamide
CID 43545572
4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
CID 129136562
(2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride
CID 87710787
ethyl 4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoate
CID 60698765
2-[3-(tert-butylamino)propanoylamino]propanamide
CID 60850067
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
N-(4-amino-4-sulfanylidenebutan-2-yl)-4-methylpentanamide
CID 62092791
2-(3-methylbutylamino)propanamide
CID 43086017
methyl (2S)-2-(4-hydroxypentanoylamino)propanoate
CID 79200430
N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide
CID 61120703
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
CID 107261286

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide (CID 88911666) is N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide is CC(C)CCC(=O)NC(C)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide?
The InChIKey is ZHJOWMNHMZVUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)4-5-8(12)11-7(3)9(10)13/h6-7H,4-5H2,1-3H3,(H2,10,13)(H,11,12).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide?
N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide has a molecular weight of 186.25 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 88911666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).