N-cyclohexyl-2-hydroxy-3-phenylbutanamide

C16H23NO2 — CID 593540

IUPACN-cyclohexyl-2-hydroxy-3-phenylbutanamide
SMILESCC(c1ccccc1)C(O)C(=O)NC1CCCCC1
InChIInChI=1S/C16H23NO2/c1-12(13-8-4-2-5-9-13)15(18)16(19)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15,18H,3,6-7,10-11H2,1H3,(H,17,19)
InChIKeyADDPPELZKCNHPE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.60
Rot. Bonds4

About N-cyclohexyl-2-hydroxy-3-phenylbutanamide

N-cyclohexyl-2-hydroxy-3-phenylbutanamide (PubChem CID 593540) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-cyclohexyl-2-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-hydroxy-3-phenylbutanamide
PubChem CID593540
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-cyclohexyl-2-hydroxy-3-phenylbutanamide
SMILESCC(c1ccccc1)C(O)C(=O)NC1CCCCC1
InChIInChI=1S/C16H23NO2/c1-12(13-8-4-2-5-9-13)15(18)16(19)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15,18H,3,6-7,10-11H2,1H3,(H,17,19)
InChIKeyADDPPELZKCNHPE-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Nateglinide
CID 5311309
Ubenimex
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ent-Nateglinide
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CID 4443
(2S)-2-[[(2S,3R)-3-azaniumyl-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate
CID 6992132
N-[(2r,3r)-3-Amino-2-Hydroxy-4-Phenylbutanoyl]-L-Leucine
CID 9995423
Ubenimex hydrochloride
CID 11957481
(S)-2-((2S,3S)-3-Amino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoic acid
CID 6603747
Bestatin Methyl Ester
CID 9927170
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
CID 10045162
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
CID 11143662
(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide
CID 44309732

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-hydroxy-3-phenylbutanamide?
The IUPAC name of N-cyclohexyl-2-hydroxy-3-phenylbutanamide (CID 593540) is N-cyclohexyl-2-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-cyclohexyl-2-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-cyclohexyl-2-hydroxy-3-phenylbutanamide is CC(c1ccccc1)C(O)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-hydroxy-3-phenylbutanamide?
The InChIKey is ADDPPELZKCNHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(13-8-4-2-5-9-13)15(18)16(19)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15,18H,3,6-7,10-11H2,1H3,(H,17,19).
What are the key properties of N-cyclohexyl-2-hydroxy-3-phenylbutanamide?
N-cyclohexyl-2-hydroxy-3-phenylbutanamide has a molecular weight of 261.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 593540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).