5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide

C19H23N3O — CID 100644281

IUPAC5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide
SMILESCC(C)c1ccc(Nc2ccc(N)cc2C(=O)NC2CC2)cc1
InChIInChI=1S/C19H23N3O/c1-12(2)13-3-6-15(7-4-13)21-18-10-5-14(20)11-17(18)19(23)22-16-8-9-16/h3-7,10-12,16,21H,8-9,20H2,1-2H3,(H,22,23)
InChIKeyDAERWIJIARYUPI-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.03
Rot. Bonds5

About 5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide

5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide (PubChem CID 100644281) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide
PubChem CID100644281
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide
SMILESCC(C)c1ccc(Nc2ccc(N)cc2C(=O)NC2CC2)cc1
InChIInChI=1S/C19H23N3O/c1-12(2)13-3-6-15(7-4-13)21-18-10-5-14(20)11-17(18)19(23)22-16-8-9-16/h3-7,10-12,16,21H,8-9,20H2,1-2H3,(H,22,23)
InChIKeyDAERWIJIARYUPI-UHFFFAOYSA-N
XLogP4.03
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.03
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

5-amino-N-cyclopropyl-2-(2,3-dichloroanilino)benzamide
CID 100647091
5-amino-2-(tert-butylamino)-N-cyclopropylbenzamide
CID 100639323
5-amino-N-cyclopropyl-2-(propylamino)benzamide
CID 100638190
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
5-amino-2-(4-iodoanilino)-N-propan-2-ylbenzamide
CID 100646099
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
5-amino-2-(cyclopropylamino)-N-methylbenzamide
CID 100639685
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide?
The IUPAC name of 5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide (CID 100644281) is 5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide?
The canonical SMILES for 5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide is CC(C)c1ccc(Nc2ccc(N)cc2C(=O)NC2CC2)cc1.
What is the InChIKey of 5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide?
The InChIKey is DAERWIJIARYUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-12(2)13-3-6-15(7-4-13)21-18-10-5-14(20)11-17(18)19(23)22-16-8-9-16/h3-7,10-12,16,21H,8-9,20H2,1-2H3,(H,22,23).
What are the key properties of 5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide?
5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide has a molecular weight of 309.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-2-(4-propan-2-ylanilino)benzamide is sourced from PubChem (CID 100644281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).