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

C15H23ClN2O2 — CID 120591704

IUPAC4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CC(c2ccccc2)C1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-19-14(10-16)9-15(18)17-13-7-12(8-13)11-5-3-2-4-6-11;/h2-6,12-14H,7-10,16H2,1H3,(H,17,18);1H
InChIKeyHHLZVLHYJZKXOO-UHFFFAOYSA-N
MW298.81 g/mol
LogP1.83
Rot. Bonds6

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

4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride (PubChem CID 120591704) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride
PubChem CID120591704
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CC(c2ccccc2)C1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-19-14(10-16)9-15(18)17-13-7-12(8-13)11-5-3-2-4-6-11;/h2-6,12-14H,7-10,16H2,1H3,(H,17,18);1H
InChIKeyHHLZVLHYJZKXOO-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-(4-phenylcyclohexyl)butanamide;hydrochloride
CID 120588455
2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide
CID 120989012
4-amino-N-[2-(3-fluorophenyl)cyclopropyl]-3-methoxybutanamide;hydrochloride
CID 120590455
4-amino-3-methoxy-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 120591771
4-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide;hydrochloride
CID 120586516
4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 103155063
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120591726
3-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide;hydrochloride
CID 119949671
2-(2-methoxyethylamino)-N-(3-phenylcyclobutyl)acetamide
CID 119774808
4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide
CID 120587665
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
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-(3-phenylcyclobutyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride (CID 120591704) is 4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride is COC(CN)CC(=O)NC1CC(c2ccccc2)C1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride?
The InChIKey is HHLZVLHYJZKXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-19-14(10-16)9-15(18)17-13-7-12(8-13)11-5-3-2-4-6-11;/h2-6,12-14H,7-10,16H2,1H3,(H,17,18);1H.
What are the key properties of 4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(3-phenylcyclobutyl)butanamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.83, 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-(3-phenylcyclobutyl)butanamide;hydrochloride is sourced from PubChem (CID 120591704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).