3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide

C16H23BrN2O — CID 115161764

IUPAC3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide
SMILESCc1ccc(Br)cc1C(C)(C)CNC(=O)C1CC(N)C1
InChIInChI=1S/C16H23BrN2O/c1-10-4-5-12(17)8-14(10)16(2,3)9-19-15(20)11-6-13(18)7-11/h4-5,8,11,13H,6-7,9,18H2,1-3H3,(H,19,20)
InChIKeyNORDAGMQMQEZTA-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.89
Rot. Bonds4

About 3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide

3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide (PubChem CID 115161764) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide
PubChem CID115161764
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide
SMILESCc1ccc(Br)cc1C(C)(C)CNC(=O)C1CC(N)C1
InChIInChI=1S/C16H23BrN2O/c1-10-4-5-12(17)8-14(10)16(2,3)9-19-15(20)11-6-13(18)7-11/h4-5,8,11,13H,6-7,9,18H2,1-3H3,(H,19,20)
InChIKeyNORDAGMQMQEZTA-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(2-bromophenyl)-2-methylpropyl]cyclobutane-1-carboxamide
CID 115161777
2-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152831
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176137
N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]-2-cyano-2-methylpropanamide
CID 115175276
1-(aminomethyl)-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115182837
3-amino-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]cyclobutane-1-carboxamide
CID 115161762
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115150582
3-amino-N-(2-methyl-2-pyridin-2-ylpropyl)cyclobutane-1-carboxamide
CID 115161770
3-[[2-(5-bromo-2-methylphenyl)-2-methylpropyl]amino]propanoic acid
CID 115218391
3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119780965
N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
CID 95971045
3-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119762950

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide (CID 115161764) is 3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide is Cc1ccc(Br)cc1C(C)(C)CNC(=O)C1CC(N)C1.
What is the InChIKey of 3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide?
The InChIKey is NORDAGMQMQEZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-10-4-5-12(17)8-14(10)16(2,3)9-19-15(20)11-6-13(18)7-11/h4-5,8,11,13H,6-7,9,18H2,1-3H3,(H,19,20).
What are the key properties of 3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide?
3-amino-N-[2-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 2.89, 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-(5-bromo-2-methylphenyl)-2-methylpropyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115161764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).