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

C17H26BrClN2O2 — CID 120592963

IUPAC4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCC1(c2ccc(Br)cc2)CCCC1.Cl
InChIInChI=1S/C17H25BrN2O2.ClH/c1-22-15(11-19)10-16(21)20-12-17(8-2-3-9-17)13-4-6-14(18)7-5-13;/h4-7,15H,2-3,8-12,19H2,1H3,(H,20,21);1H
InChIKeyOJAFJRYUCTWJJH-UHFFFAOYSA-N
MW405.76 g/mol
LogP3.16
Rot. Bonds7

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

4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120592963) has the molecular formula C17H26BrClN2O2 and a molecular weight of 405.76 g/mol. Its IUPAC name is 4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride
PubChem CID120592963
Molecular FormulaC17H26BrClN2O2
Molecular Weight405.76 g/mol
Exact Mass404.09
IUPAC Name4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCC1(c2ccc(Br)cc2)CCCC1.Cl
InChIInChI=1S/C17H25BrN2O2.ClH/c1-22-15(11-19)10-16(21)20-12-17(8-2-3-9-17)13-4-6-14(18)7-5-13;/h4-7,15H,2-3,8-12,19H2,1H3,(H,20,21);1H
InChIKeyOJAFJRYUCTWJJH-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.76
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide
CID 120587665
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119744791
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
CID 119744792
4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide
CID 120592015
4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride
CID 120589748
N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119797524
4-amino-3-methoxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]butanamide;hydrochloride
CID 120593447
4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561083
(2R)-2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119301081
2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 119301083
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride (CID 120592963) is 4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NCC1(c2ccc(Br)cc2)CCCC1.Cl.
What is the InChIKey of 4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is OJAFJRYUCTWJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2.ClH/c1-22-15(11-19)10-16(21)20-12-17(8-2-3-9-17)13-4-6-14(18)7-5-13;/h4-7,15H,2-3,8-12,19H2,1H3,(H,20,21);1H.
What are the key properties of 4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 405.76 g/mol, XLogP of 3.16, 7 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)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120592963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).