3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide

C15H21BrN2O — CID 115161777

IUPAC3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide
SMILESCC(C)(CNC(=O)C1CC(N)C1)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-15(2,12-5-3-4-6-13(12)16)9-18-14(19)10-7-11(17)8-10/h3-6,10-11H,7-9,17H2,1-2H3,(H,18,19)
InChIKeyCDPHFOABSVOJON-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.58
Rot. Bonds4

About 3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide

3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide (PubChem CID 115161777) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide
PubChem CID115161777
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide
SMILESCC(C)(CNC(=O)C1CC(N)C1)c1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-15(2,12-5-3-4-6-13(12)16)9-18-14(19)10-7-11(17)8-10/h3-6,10-11H,7-9,17H2,1-2H3,(H,18,19)
InChIKeyCDPHFOABSVOJON-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide
CID 115161764
3-amino-N-(2-methyl-2-pyridin-2-ylpropyl)cyclobutane-1-carboxamide
CID 115161770
2-amino-N-[2-(2-bromophenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152840
1-[2-(2-bromophenyl)-2-methylpropyl]-3-methylurea
CID 115169643
3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide
CID 115161762
9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988953
methyl 3-[[2-(2-bromophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174564
N-[2-(2-bromophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 115158174
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]-2-methyl-3-oxopropanoic acid
CID 115164425
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985617
[[2-(2-bromophenyl)-2-methylpropyl]amino] acetate
CID 174811671

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide (CID 115161777) is 3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide is CC(C)(CNC(=O)C1CC(N)C1)c1ccccc1Br.
What is the InChIKey of 3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide?
The InChIKey is CDPHFOABSVOJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-15(2,12-5-3-4-6-13(12)16)9-18-14(19)10-7-11(17)8-10/h3-6,10-11H,7-9,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide?
3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115161777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).