2-acetamido-N-(4-methylpentyl)propanamide

C11H22N2O2 — CID 134023295

IUPAC2-acetamido-N-(4-methylpentyl)propanamide
SMILESCC(=O)NC(C)C(=O)NCCCC(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)6-5-7-12-11(15)9(3)13-10(4)14/h8-9H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyKWNDSSUWXAVFGV-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.06
Rot. Bonds6

About 2-acetamido-N-(4-methylpentyl)propanamide

2-acetamido-N-(4-methylpentyl)propanamide (PubChem CID 134023295) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-acetamido-N-(4-methylpentyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-methylpentyl)propanamide
PubChem CID134023295
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-acetamido-N-(4-methylpentyl)propanamide
SMILESCC(=O)NC(C)C(=O)NCCCC(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)6-5-7-12-11(15)9(3)13-10(4)14/h8-9H,5-7H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyKWNDSSUWXAVFGV-UHFFFAOYSA-N
XLogP1.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-acetamido-N-(4-methylpentyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-acetamido-N-(4,4-dimethylpentyl)propanamide
CID 162466533
2-(2-acetamidopropanoylamino)ethylcarbamic acid
CID 19805667
2-acetamido-N-(2-fluoroethyl)propanamide
CID 91190233
(2S)-2-acetamido-N-[(2S)-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]propanamide
CID 102305580
methyl 6-(2-acetamidopropanoylamino)hexanoate
CID 43404542
N-(4-methylpentyl)propanamide
CID 54140551
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
2-acetamido-N-(2-hydroxypropyl)propanamide
CID 43392742
2-(4-methylpentylamino)-N-(2-methylpropyl)propanamide
CID 60745845
(2S)-6-acetamido-2-[[(2S)-2-acetamidopropanoyl]amino]hexanoic acid
CID 121225479
(2S)-2-acetamido-N-[(2S)-1-(2-ethylhexylamino)-1-oxopropan-2-yl]propanamide
CID 142590934
2-acetamido-N-(2-methylpropoxy)propanamide
CID 115409958

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-methylpentyl)propanamide?
The IUPAC name of 2-acetamido-N-(4-methylpentyl)propanamide (CID 134023295) is 2-acetamido-N-(4-methylpentyl)propanamide.
What is the SMILES notation for 2-acetamido-N-(4-methylpentyl)propanamide?
The canonical SMILES for 2-acetamido-N-(4-methylpentyl)propanamide is CC(=O)NC(C)C(=O)NCCCC(C)C.
What is the InChIKey of 2-acetamido-N-(4-methylpentyl)propanamide?
The InChIKey is KWNDSSUWXAVFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)6-5-7-12-11(15)9(3)13-10(4)14/h8-9H,5-7H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of 2-acetamido-N-(4-methylpentyl)propanamide?
2-acetamido-N-(4-methylpentyl)propanamide has a molecular weight of 214.31 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-methylpentyl)propanamide is sourced from PubChem (CID 134023295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).