1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide

C12H16N2O — CID 65465042

IUPAC1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2(N)CC2)c1
InChIInChI=1S/C12H16N2O/c1-8-5-9(2)7-10(6-8)14-11(15)12(13)3-4-12/h5-7H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyVTWGUKQEDRGHHC-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.73
Rot. Bonds2

About 1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide

1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide (PubChem CID 65465042) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
PubChem CID65465042
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2(N)CC2)c1
InChIInChI=1S/C12H16N2O/c1-8-5-9(2)7-10(6-8)14-11(15)12(13)3-4-12/h5-7H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyVTWGUKQEDRGHHC-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(3-bromo-5-methylphenyl)oxane-4-carboxamide
CID 107583475
1-amino-N-(3,5-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119696869
1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119673461
1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 65464390
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
1-N'-(3,5-dichlorophenyl)-1-N-(3,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981521
1-amino-N-(3,5-difluoro-4-iodophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119764585
1-amino-N-phenylcyclopropane-1-carboxamide;hydrochloride
CID 75467843
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578
4-amino-N-(4-methylphenyl)oxane-4-carboxamide
CID 113280557
1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide
CID 81169679

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide (CID 65465042) is 1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide is Cc1cc(C)cc(NC(=O)C2(N)CC2)c1.
What is the InChIKey of 1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is VTWGUKQEDRGHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-5-9(2)7-10(6-8)14-11(15)12(13)3-4-12/h5-7H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide?
1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65465042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).