(3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide

C15H29NO2 — CID 54411501

IUPAC(3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide
SMILESCC[C@H](O)C(C(=O)NCC(C)C)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-4-13(17)14(12-8-6-5-7-9-12)15(18)16-10-11(2)3/h11-14,17H,4-10H2,1-3H3,(H,16,18)/t13-,14?/m0/s1
InChIKeyVULUECCPZBQENJ-LSLKUGRBSA-N
MW255.40 g/mol
LogP2.73
Rot. Bonds6

About (3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide

(3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide (PubChem CID 54411501) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name(3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide
PubChem CID54411501
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide
SMILESCC[C@H](O)C(C(=O)NCC(C)C)C1CCCCC1
InChIInChI=1S/C15H29NO2/c1-4-13(17)14(12-8-6-5-7-9-12)15(18)16-10-11(2)3/h11-14,17H,4-10H2,1-3H3,(H,16,18)/t13-,14?/m0/s1
InChIKeyVULUECCPZBQENJ-LSLKUGRBSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclohexyl-N-(3-hydroxypropyl)pentanamide
CID 172463524
N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide
CID 86128162
4-cyclohexyl-N-[(4S)-4-hydroxyhexyl]butanamide
CID 96521446
2-cyclohexyl-N-[(3S)-1-hydroxy-4-methylpentan-3-yl]acetamide
CID 97012317
N-(4-hydroxy-3-methylbutan-2-yl)-2-propyloxane-4-carboxamide
CID 110021539
N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-hydroxy-4-methylpentanamide
CID 119034461
4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide
CID 14277664
5-cyclohexyl-2,2-difluoro-3-hydroxy-4-(methylamino)-N-propylpentanamide
CID 57918961
4-amino-5-cyclohexyl-2,5-difluoro-3-hydroxy-N-methylpentanamide
CID 70069228
(4S)-N-ethyl-2,2-difluoro-3-hydroxy-4-methylheptanamide
CID 87104000
8-[(2-Fluoro-6-hydroxycyclohexanecarbonyl)amino]octanoic acid
CID 140509339
4-Hydroxy-6-(2-methylpropyl)piperidin-2-one
CID 5246681

Frequently Asked Questions

What is the IUPAC name of (3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide?
The IUPAC name of (3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide (CID 54411501) is (3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for (3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide?
The canonical SMILES for (3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide is CC[C@H](O)C(C(=O)NCC(C)C)C1CCCCC1.
What is the InChIKey of (3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide?
The InChIKey is VULUECCPZBQENJ-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-13(17)14(12-8-6-5-7-9-12)15(18)16-10-11(2)3/h11-14,17H,4-10H2,1-3H3,(H,16,18)/t13-,14?/m0/s1.
What are the key properties of (3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide?
(3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide has a molecular weight of 255.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-cyclohexyl-3-hydroxy-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 54411501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).