4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide

C13H18N2O2 — CID 63294587

IUPAC4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(O)C2CC2)ccc1N
InChIInChI=1S/C13H18N2O2/c1-8-6-10(4-5-11(8)14)13(17)15-7-12(16)9-2-3-9/h4-6,9,12,16H,2-3,7,14H2,1H3,(H,15,17)
InChIKeyWCMQQPJPEBVRAE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.08
Rot. Bonds4

About 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide

4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide (PubChem CID 63294587) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
PubChem CID63294587
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(O)C2CC2)ccc1N
InChIInChI=1S/C13H18N2O2/c1-8-6-10(4-5-11(8)14)13(17)15-7-12(16)9-2-3-9/h4-6,9,12,16H,2-3,7,14H2,1H3,(H,15,17)
InChIKeyWCMQQPJPEBVRAE-UHFFFAOYSA-N
XLogP1.08
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide (CID 63294587) is 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide is Cc1cc(C(=O)NCC(O)C2CC2)ccc1N.
What is the InChIKey of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide?
The InChIKey is WCMQQPJPEBVRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-6-10(4-5-11(8)14)13(17)15-7-12(16)9-2-3-9/h4-6,9,12,16H,2-3,7,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide?
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-methylbenzamide is sourced from PubChem (CID 63294587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).