(2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide

C16H34N2O2 — CID 61164222

IUPAC(2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide
SMILESCCCCCCCN(CCCO)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C16H34N2O2/c1-4-5-6-7-8-10-18(11-9-12-19)16(20)15(17)13-14(2)3/h14-15,19H,4-13,17H2,1-3H3/t15-/m0/s1
InChIKeyBDSUTEJVPUKMDV-HNNXBMFYSA-N
MW286.46 g/mol
LogP2.54
Rot. Bonds12

About (2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide

(2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide (PubChem CID 61164222) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide
PubChem CID61164222
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name(2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide
SMILESCCCCCCCN(CCCO)C(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C16H34N2O2/c1-4-5-6-7-8-10-18(11-9-12-19)16(20)15(17)13-14(2)3/h14-15,19H,4-13,17H2,1-3H3/t15-/m0/s1
InChIKeyBDSUTEJVPUKMDV-HNNXBMFYSA-N
XLogP2.54
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide 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

(2R)-2-amino-N,N-dihexyl-4-methylpentanamide
CID 104903090
(2S)-2-amino-4-methyl-N,N-dipentylpentanamide
CID 61164908
2-amino-N,N-dihexylpropanamide
CID 54872127
(2R)-2-amino-N,N-dipentylpentanamide
CID 93372351
3-chloro-N-heptyl-N-(3-hydroxypropyl)-2-methylpropanamide
CID 55111093
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
(2R)-2-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102992753
(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-4-methylpentanamide
CID 102993062
(2R)-2-amino-N,N-dihexyl-4-methylsulfanylbutanamide
CID 104907780
(2R)-2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylpentanamide
CID 104904000
2-chloro-N,N-dihexylpropanamide
CID 533081
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide (CID 61164222) is (2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide is CCCCCCCN(CCCO)C(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide?
The InChIKey is BDSUTEJVPUKMDV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-4-5-6-7-8-10-18(11-9-12-19)16(20)15(17)13-14(2)3/h14-15,19H,4-13,17H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide?
(2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide has a molecular weight of 286.46 g/mol, XLogP of 2.54, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-heptyl-N-(3-hydroxypropyl)-4-methylpentanamide is sourced from PubChem (CID 61164222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).