4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride

C17H27ClN2O2 — CID 120588455

IUPAC4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-21-16(12-18)11-17(20)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13;/h2-6,14-16H,7-12,18H2,1H3,(H,19,20);1H
InChIKeyGAWXIKVRSYUSKF-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.61
Rot. Bonds6

About 4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride

4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride (PubChem CID 120588455) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride
PubChem CID120588455
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-21-16(12-18)11-17(20)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13;/h2-6,14-16H,7-12,18H2,1H3,(H,19,20);1H
InChIKeyGAWXIKVRSYUSKF-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride
CID 120591704
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671
4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 103155063
4-amino-N-(4-phenylcyclohexyl)butanamide
CID 43699336
4-(methylamino)-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 119716199
4-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide;hydrochloride
CID 120586516
3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide
CID 64683408
2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide
CID 65225560
4-amino-3-methoxy-N-(1-methylpiperidin-4-yl)butanamide
CID 103154332
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
4-amino-3-methoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 120587685
4-amino-3-methoxy-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 120597287

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride (CID 120588455) is 4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride is COC(CN)CC(=O)NC1CCC(c2ccccc2)CC1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride?
The InChIKey is GAWXIKVRSYUSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-21-16(12-18)11-17(20)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13;/h2-6,14-16H,7-12,18H2,1H3,(H,19,20);1H.
What are the key properties of 4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride is sourced from PubChem (CID 120588455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).