3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide

C16H32N2O2 — CID 91328621

IUPAC3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide
SMILESCCC(C)C(C)C(O)NC(CC1CCCCC1)C(N)=O
InChIInChI=1S/C16H32N2O2/c1-4-11(2)12(3)16(20)18-14(15(17)19)10-13-8-6-5-7-9-13/h11-14,16,18,20H,4-10H2,1-3H3,(H2,17,19)
InChIKeyZZSWVJMTJRXAOQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.40
Rot. Bonds8

About 3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide

3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide (PubChem CID 91328621) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide
PubChem CID91328621
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide
SMILESCCC(C)C(C)C(O)NC(CC1CCCCC1)C(N)=O
InChIInChI=1S/C16H32N2O2/c1-4-11(2)12(3)16(20)18-14(15(17)19)10-13-8-6-5-7-9-13/h11-14,16,18,20H,4-10H2,1-3H3,(H2,17,19)
InChIKeyZZSWVJMTJRXAOQ-UHFFFAOYSA-N
XLogP2.40
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[[3-cyclohexyl-1-hydroxy-1-[1-hydroxy-3-methyl-1-(methylideneamino)pentan-2-yl]oxypropan-2-yl]amino]-2,3-dimethylpentan-1-ol
CID 91058797
ethyl (2S)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3-cyclopentylpropanoate
CID 157337378
[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl] carbamate
CID 67799084
(2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 140552299
2-(cyclohexylmethylamino)propanamide
CID 43216154
methyl N-[(2S)-1-cyclohexyl-3-oxobutan-2-yl]carbamate
CID 59259280
(3S)-4-[[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-(methylamino)-4-oxobutanoic acid
CID 59936843
propyl 3-cyclohexyl-2-[2-[(3-cyclohexyl-1-oxo-1-propoxypropan-2-yl)amino]ethylamino]propanoate
CID 46871694
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-cyclohexylpropanoyl]amino]-6-aminohexanamide
CID 175961701
(1-cyclopentyl-3-methylpentan-2-yl)hydrazine
CID 105219565
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
N-(1-amino-3-methoxy-1-oxopropan-2-yl)-2-(cyclohexylmethyl)pentanamide
CID 119039243

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide?
The IUPAC name of 3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide (CID 91328621) is 3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide.
What is the SMILES notation for 3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide?
The canonical SMILES for 3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide is CCC(C)C(C)C(O)NC(CC1CCCCC1)C(N)=O.
What is the InChIKey of 3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide?
The InChIKey is ZZSWVJMTJRXAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-11(2)12(3)16(20)18-14(15(17)19)10-13-8-6-5-7-9-13/h11-14,16,18,20H,4-10H2,1-3H3,(H2,17,19).
What are the key properties of 3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide?
3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide has a molecular weight of 284.44 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-[(1-hydroxy-2,3-dimethylpentyl)amino]propanamide is sourced from PubChem (CID 91328621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).