3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide

C23H29N3O2 — CID 11314984

IUPAC3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1N
InChIInChI=1S/C23H29N3O2/c1-14-5-6-15(22(28)26-17-8-9-17)11-19(14)18-10-7-16(12-20(18)24)21(27)25-13-23(2,3)4/h5-7,10-12,17H,8-9,13,24H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyAWEHNYQLGGJUGD-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.91
Rot. Bonds5

About 3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide

3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 11314984) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide
PubChem CID11314984
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1N
InChIInChI=1S/C23H29N3O2/c1-14-5-6-15(22(28)26-17-8-9-17)11-19(14)18-10-7-16(12-20(18)24)21(27)25-13-23(2,3)4/h5-7,10-12,17H,8-9,13,24H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyAWEHNYQLGGJUGD-UHFFFAOYSA-N
XLogP3.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide
CID 11259111
N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(ethylcarbamoylamino)phenyl]-4-methylbenzamide
CID 11236294
4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide
CID 69229769
4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
CID 91397175
3-[3-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4,5-dimethylbenzamide
CID 135294127
N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-methoxyphenyl]-5-fluoro-4-methylbenzamide;molecular hydrogen
CID 145282453
4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(3,4-difluorophenyl)-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide
CID 12002103
N-cyclopropyl-3-[2-[3-(dimethylamino)propoxy]-4-(2,2-dimethylpropylcarbamoyl)phenyl]-5-fluoro-4-methylbenzamide
CID 11431653
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide
CID 58919712
N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
3-[4-(2,2-dimethylpropylcarbamoyl)-2-methoxycarbonylphenyl]-4-methylbenzoic acid;methyl 5-(2,2-dimethylpropylcarbamoyl)-2-[5-(2-hydroxyethylcarbamoyl)-2-methylphenyl]benzoate
CID 160629180
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide (CID 11314984) is 3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1N.
What is the InChIKey of 3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is AWEHNYQLGGJUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-14-5-6-15(22(28)26-17-8-9-17)11-19(14)18-10-7-16(12-20(18)24)21(27)25-13-23(2,3)4/h5-7,10-12,17H,8-9,13,24H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide?
3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 11314984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).