3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide

C20H32N2O2 — CID 21198994

IUPAC3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide
SMILESCC(CCc1ccccc1)NC(=O)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C20H32N2O2/c1-15(12-13-16-8-4-2-5-9-16)22-20(24)19(23)18(21)14-17-10-6-3-7-11-17/h2,4-5,8-9,15,17-19,23H,3,6-7,10-14,21H2,1H3,(H,22,24)
InChIKeyZKYWBQUFILTQKX-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.78
Rot. Bonds8

About 3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide

3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide (PubChem CID 21198994) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide.

Molecular Properties

Compound Name3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide
PubChem CID21198994
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide
SMILESCC(CCc1ccccc1)NC(=O)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C20H32N2O2/c1-15(12-13-16-8-4-2-5-9-16)22-20(24)19(23)18(21)14-17-10-6-3-7-11-17/h2,4-5,8-9,15,17-19,23H,3,6-7,10-14,21H2,1H3,(H,22,24)
InChIKeyZKYWBQUFILTQKX-UHFFFAOYSA-N
XLogP2.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ubenimex
CID 72172
Apstatin
CID 447280
(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
tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-[(3-methylbutyl)carbamoyl]-1-phenylpentan-2-yl]carbamate
CID 5480981
(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
(1r,3s)-3-[1-(Acetylamino)-1-Methylethyl]-N-[(1s,2s,4r)-1-Benzyl-5-(Butylamino)-2-Hydroxy-4-Methyl-5-Oxopentyl]cyclohexanecarboxamide
CID 45259044

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide?
The IUPAC name of 3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide (CID 21198994) is 3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide.
What is the SMILES notation for 3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide?
The canonical SMILES for 3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide is CC(CCc1ccccc1)NC(=O)C(O)C(N)CC1CCCCC1.
What is the InChIKey of 3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide?
The InChIKey is ZKYWBQUFILTQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-15(12-13-16-8-4-2-5-9-16)22-20(24)19(23)18(21)14-17-10-6-3-7-11-17/h2,4-5,8-9,15,17-19,23H,3,6-7,10-14,21H2,1H3,(H,22,24).
What are the key properties of 3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide?
3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide has a molecular weight of 332.49 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclohexyl-2-hydroxy-N-(4-phenylbutan-2-yl)butanamide is sourced from PubChem (CID 21198994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).