4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide

C19H30N2O2 — CID 120591337

IUPAC4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-23-17(14-20)13-19(22)21-18(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h3,6-7,10-11,15,17-18H,2,4-5,8-9,12-14,20H2,1H3,(H,21,22)
InChIKeyOSDPNDDMSQUTFO-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.18
Rot. Bonds8

About 4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide

4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide (PubChem CID 120591337) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide
PubChem CID120591337
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NC(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-23-17(14-20)13-19(22)21-18(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h3,6-7,10-11,15,17-18H,2,4-5,8-9,12-14,20H2,1H3,(H,21,22)
InChIKeyOSDPNDDMSQUTFO-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671
4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 120595471
methyl 4-[(4-amino-3-methoxybutanoyl)amino]-4-phenylbutanoate
CID 120591892
4-amino-3-methoxy-N-(2-phenoxy-1-phenylethyl)butanamide
CID 120592001
N-(2-amino-1-phenylethyl)-2-cyclopentylacetamide
CID 63755039
4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593746
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120589393
4-amino-N-(3-amino-1-cyclohexyl-3-oxopropyl)-3-methoxybutanamide
CID 120594227
4-amino-N-(3,3-diphenylpropyl)-3-methoxybutanamide;hydrochloride
CID 120586575
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide (CID 120591337) is 4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide is COC(CN)CC(=O)NC(CC1CCCCC1)c1ccccc1.
What is the InChIKey of 4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide?
The InChIKey is OSDPNDDMSQUTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-23-17(14-20)13-19(22)21-18(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h3,6-7,10-11,15,17-18H,2,4-5,8-9,12-14,20H2,1H3,(H,21,22).
What are the key properties of 4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide?
4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide has a molecular weight of 318.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide is sourced from PubChem (CID 120591337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).