N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide

C12H16N2O — CID 43548116

IUPACN-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide
SMILESCc1ccc(N)c(NC(=O)C2CC2)c1C
InChIInChI=1S/C12H16N2O/c1-7-3-6-10(13)11(8(7)2)14-12(15)9-4-5-9/h3,6,9H,4-5,13H2,1-2H3,(H,14,15)
InChIKeyVFXNKAJLDDSIRH-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.23
Rot. Bonds2

About N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide

N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide (PubChem CID 43548116) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide
PubChem CID43548116
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide
SMILESCc1ccc(N)c(NC(=O)C2CC2)c1C
InChIInChI=1S/C12H16N2O/c1-7-3-6-10(13)11(8(7)2)14-12(15)9-4-5-9/h3,6,9H,4-5,13H2,1-2H3,(H,14,15)
InChIKeyVFXNKAJLDDSIRH-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-6-methylphenyl)cyclohexanecarboxamide
CID 43152327
N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
N-(6-amino-2,3-dimethylphenyl)-2-propan-2-yloxyacetamide
CID 112601814
4-N-(2,6-dimethylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150290
N-[5-(3-amino-4-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176866
N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide
CID 43548068
N-(2,3-dimethylphenyl)oxane-4-carboxamide
CID 31962553
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605
N-(4-amino-2,6-dibromophenyl)cyclopropanecarboxamide
CID 43549427
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid
CID 159148469

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide (CID 43548116) is N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide is Cc1ccc(N)c(NC(=O)C2CC2)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide?
The InChIKey is VFXNKAJLDDSIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-3-6-10(13)11(8(7)2)14-12(15)9-4-5-9/h3,6,9H,4-5,13H2,1-2H3,(H,14,15).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide?
N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide has a molecular weight of 204.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 43548116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).