3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide

C18H21N3O3 — CID 100630364

IUPAC3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide
SMILESCOc1ccc(Nc2ccc(C(=O)NC3CC3)cc2N)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-23-13-6-8-16(17(10-13)24-2)21-15-7-3-11(9-14(15)19)18(22)20-12-4-5-12/h3,6-10,12,21H,4-5,19H2,1-2H3,(H,20,22)
InChIKeyCZKCYEKPNNSRPY-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.92
Rot. Bonds6

About 3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide

3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide (PubChem CID 100630364) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide
PubChem CID100630364
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide
SMILESCOc1ccc(Nc2ccc(C(=O)NC3CC3)cc2N)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-23-13-6-8-16(17(10-13)24-2)21-15-7-3-11(9-14(15)19)18(22)20-12-4-5-12/h3,6-10,12,21H,4-5,19H2,1-2H3,(H,20,22)
InChIKeyCZKCYEKPNNSRPY-UHFFFAOYSA-N
XLogP2.92
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
3-amino-N-cyclopropyl-4-(4-ethoxyanilino)benzamide
CID 100629829
3-amino-4-anilino-N-cyclopropylbenzamide
CID 84819042
3-amino-N-cyclopropyl-4-(2-methylanilino)benzamide
CID 100623628
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067
3-amino-4-(2,5-dimethoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100630644
5-N-cyclopropyl-3-N-(2,4-dimethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109101658
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide (CID 100630364) is 3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide is COc1ccc(Nc2ccc(C(=O)NC3CC3)cc2N)c(OC)c1.
What is the InChIKey of 3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide?
The InChIKey is CZKCYEKPNNSRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-13-6-8-16(17(10-13)24-2)21-15-7-3-11(9-14(15)19)18(22)20-12-4-5-12/h3,6-10,12,21H,4-5,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide?
3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide is sourced from PubChem (CID 100630364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).