3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide

C18H27FN2O2 — CID 21198995

IUPAC3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide
SMILESNC(CC1CCCCC1)C(O)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C18H27FN2O2/c19-15-8-4-7-14(11-15)9-10-21-18(23)17(22)16(20)12-13-5-2-1-3-6-13/h4,7-8,11,13,16-17,22H,1-3,5-6,9-10,12,20H2,(H,21,23)
InChIKeyKOVDVIPYIYLTDH-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.14
Rot. Bonds7

About 3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide

3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide (PubChem CID 21198995) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide.

Molecular Properties

Compound Name3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide
PubChem CID21198995
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide
SMILESNC(CC1CCCCC1)C(O)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C18H27FN2O2/c19-15-8-4-7-14(11-15)9-10-21-18(23)17(22)16(20)12-13-5-2-1-3-6-13/h4,7-8,11,13,16-17,22H,1-3,5-6,9-10,12,20H2,(H,21,23)
InChIKeyKOVDVIPYIYLTDH-UHFFFAOYSA-N
XLogP2.14
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Ubenimex
CID 72172
(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
(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
N-(trans-4-Hydroxycyclohexyl)-6-phenylhexanamide
CID 154665740
N-lactoyl-phenylalanine
CID 11075454
Phebestin
CID 3075601
2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium
CID 155920141

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide?
The IUPAC name of 3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide (CID 21198995) is 3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide.
What is the SMILES notation for 3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide?
The canonical SMILES for 3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide is NC(CC1CCCCC1)C(O)C(=O)NCCc1cccc(F)c1.
What is the InChIKey of 3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide?
The InChIKey is KOVDVIPYIYLTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c19-15-8-4-7-14(11-15)9-10-21-18(23)17(22)16(20)12-13-5-2-1-3-6-13/h4,7-8,11,13,16-17,22H,1-3,5-6,9-10,12,20H2,(H,21,23).
What are the key properties of 3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide?
3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide has a molecular weight of 322.42 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]-2-hydroxybutanamide is sourced from PubChem (CID 21198995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).