N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide

C22H24N2O2 — CID 95273703

IUPACN-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide
SMILESCc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C22H24N2O2/c1-14-3-2-4-17(11-14)19-12-20(19)22(26)23-13-15-5-7-16(8-6-15)21(25)24-18-9-10-18/h2-8,11,18-20H,9-10,12-13H2,1H3,(H,23,26)(H,24,25)/t19-,20+/m0/s1
InChIKeySUQODIRHGQUZJS-VQTJNVASSA-N
MW348.45 g/mol
LogP3.31
Rot. Bonds6

About N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide

N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide (PubChem CID 95273703) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide
PubChem CID95273703
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide
SMILESCc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C22H24N2O2/c1-14-3-2-4-17(11-14)19-12-20(19)22(26)23-13-15-5-7-16(8-6-15)21(25)24-18-9-10-18/h2-8,11,18-20H,9-10,12-13H2,1H3,(H,23,26)(H,24,25)/t19-,20+/m0/s1
InChIKeySUQODIRHGQUZJS-VQTJNVASSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide 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 N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide (CID 95273703) is N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide is Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide?
The InChIKey is SUQODIRHGQUZJS-VQTJNVASSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-14-3-2-4-17(11-14)19-12-20(19)22(26)23-13-15-5-7-16(8-6-15)21(25)24-18-9-10-18/h2-8,11,18-20H,9-10,12-13H2,1H3,(H,23,26)(H,24,25)/t19-,20+/m0/s1.
What are the key properties of N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide has a molecular weight of 348.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]benzamide is sourced from PubChem (CID 95273703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).