N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide

C18H26N2O3 — CID 110025114

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-18(23,14-8-4-2-5-9-14)12-16(21)19-13-17(22)20-15-10-6-3-7-11-15/h2,4-5,8-9,15,23H,3,6-7,10-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyVGMZGIUJHZFNBQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide

N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide (PubChem CID 110025114) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
PubChem CID110025114
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-18(23,14-8-4-2-5-9-14)12-16(21)19-13-17(22)20-15-10-6-3-7-11-15/h2,4-5,8-9,15,23H,3,6-7,10-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyVGMZGIUJHZFNBQ-UHFFFAOYSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110026477
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide
CID 110025076
N-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-3-phenylbutanamide
CID 110026341
N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
CID 86785833
3-hydroxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-phenylbutanamide
CID 110024517
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2676355
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
3-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]-3-phenylbutanamide
CID 110025113
N-[2-(cyclohexylamino)-2-oxoethyl]-2,2-diphenylacetamide
CID 1250894

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide (CID 110025114) is N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide is CC(O)(CC(=O)NCC(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is VGMZGIUJHZFNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(23,14-8-4-2-5-9-14)12-16(21)19-13-17(22)20-15-10-6-3-7-11-15/h2,4-5,8-9,15,23H,3,6-7,10-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 318.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110025114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).