4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride

C16H25ClN2O2 — CID 120591726

IUPAC4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(c1ccccc1)C1CCC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-20-14(11-17)10-15(19)18-16(13-8-5-9-13)12-6-3-2-4-7-12;/h2-4,6-7,13-14,16H,5,8-11,17H2,1H3,(H,18,19);1H
InChIKeyAYRCOGWCQISHEF-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.43
Rot. Bonds7

About 4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120591726) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
PubChem CID120591726
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC(c1ccccc1)C1CCC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-20-14(11-17)10-15(19)18-16(13-8-5-9-13)12-6-3-2-4-7-12;/h2-4,6-7,13-14,16H,5,8-11,17H2,1H3,(H,18,19);1H
InChIKeyAYRCOGWCQISHEF-UHFFFAOYSA-N
XLogP2.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
CID 120591728
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120589393
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593746
3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
CID 119951252
4-amino-N-(2-cyclohexyl-1-phenylethyl)-3-methoxybutanamide
CID 120591337
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
3-amino-N-[cyclobutyl-(4-fluorophenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119951249
4-amino-N-[(4-fluorophenyl)-phenylmethyl]-3-methoxybutanamide;hydrochloride
CID 120588465
N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
4-amino-3-methoxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 120595471
4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride (CID 120591726) is 4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NC(c1ccccc1)C1CCC1.Cl.
What is the InChIKey of 4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is AYRCOGWCQISHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-20-14(11-17)10-15(19)18-16(13-8-5-9-13)12-6-3-2-4-7-12;/h2-4,6-7,13-14,16H,5,8-11,17H2,1H3,(H,18,19);1H.
What are the key properties of 4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[cyclobutyl(phenyl)methyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120591726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).