4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride

C15H22BrClN2O2 — CID 120589748

IUPAC4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1(c2ccc(Br)cc2)CCC1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-20-13(10-17)9-14(19)18-15(7-2-8-15)11-3-5-12(16)6-4-11;/h3-6,13H,2,7-10,17H2,1H3,(H,18,19);1H
InChIKeyHLLHCHGOPLQVRW-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.73
Rot. Bonds6

About 4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120589748) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride
PubChem CID120589748
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1(c2ccc(Br)cc2)CCC1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-20-13(10-17)9-14(19)18-15(7-2-8-15)11-3-5-12(16)6-4-11;/h3-6,13H,2,7-10,17H2,1H3,(H,18,19);1H
InChIKeyHLLHCHGOPLQVRW-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120592963
4-amino-3-methoxy-N-[1-(3-methylphenyl)cyclopentyl]butanamide
CID 120591466
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 120593516
7-amino-N-[1-(4-bromophenyl)cyclobutyl]heptanamide
CID 119740974
4-amino-3-methoxy-N-(1-methylcyclobutyl)butanamide
CID 103156687
4-amino-N-(5-bromo-2-pyridinyl)-3-methoxybutanamide
CID 103154268
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
4-amino-N-[4-(4-bromophenyl)butan-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590154
propan-2-yl N-[1-(4-bromophenyl)cyclobutyl]carbamate
CID 118391631
4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide
CID 120587665
4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586484
2-[[1-(4-bromophenyl)cyclobutyl]amino]acetic acid;hydrochloride
CID 119033400

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride (CID 120589748) is 4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NC1(c2ccc(Br)cc2)CCC1.Cl.
What is the InChIKey of 4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is HLLHCHGOPLQVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-20-13(10-17)9-14(19)18-15(7-2-8-15)11-3-5-12(16)6-4-11;/h3-6,13H,2,7-10,17H2,1H3,(H,18,19);1H.
What are the key properties of 4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120589748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).