N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide

C23H27NO2 — CID 42611262

IUPACN-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
SMILESCc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1
InChIInChI=1S/C23H27NO2/c1-17-14-20(11-12-22(17)19-6-3-2-4-7-19)23(25)24(15-18-9-10-18)16-21-8-5-13-26-21/h2-4,6-7,11-12,14,18,21H,5,8-10,13,15-16H2,1H3
InChIKeyHDBSZQAXQQMBHC-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.69
Rot. Bonds6

About N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide

N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide (PubChem CID 42611262) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
PubChem CID42611262
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC NameN-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
SMILESCc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1
InChIInChI=1S/C23H27NO2/c1-17-14-20(11-12-22(17)19-6-3-2-4-7-19)23(25)24(15-18-9-10-18)16-21-8-5-13-26-21/h2-4,6-7,11-12,14,18,21H,5,8-10,13,15-16H2,1H3
InChIKeyHDBSZQAXQQMBHC-UHFFFAOYSA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide 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-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide (CID 42611262) is N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide is Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The InChIKey is HDBSZQAXQQMBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-17-14-20(11-12-22(17)19-6-3-2-4-7-19)23(25)24(15-18-9-10-18)16-21-8-5-13-26-21/h2-4,6-7,11-12,14,18,21H,5,8-10,13,15-16H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide has a molecular weight of 349.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide is sourced from PubChem (CID 42611262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).