3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide

C15H21BrN2O — CID 119744792

IUPAC3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
SMILESCC(N)CC(=O)NCC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C15H21BrN2O/c1-11(17)9-14(19)18-10-15(7-2-8-15)12-3-5-13(16)6-4-12/h3-6,11H,2,7-10,17H2,1H3,(H,18,19)
InChIKeySJILNUANEZSUSC-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.72
Rot. Bonds5

About 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide

3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide (PubChem CID 119744792) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
PubChem CID119744792
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
SMILESCC(N)CC(=O)NCC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C15H21BrN2O/c1-11(17)9-14(19)18-10-15(7-2-8-15)12-3-5-13(16)6-4-12/h3-6,11H,2,7-10,17H2,1H3,(H,18,19)
InChIKeySJILNUANEZSUSC-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119744791
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
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120592963
2-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 119301083
N-[[1-(4-bromophenyl)cyclopentyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119797524
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
(2S)-2-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-4-methylsulfanylbutanamide
CID 119331509
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 110902757
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide (CID 119744792) is 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide is CC(N)CC(=O)NCC1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide?
The InChIKey is SJILNUANEZSUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11(17)9-14(19)18-10-15(7-2-8-15)12-3-5-13(16)6-4-12/h3-6,11H,2,7-10,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide?
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide has a molecular weight of 325.25 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide is sourced from PubChem (CID 119744792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).