N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide

C22H26N2O3 — CID 131935889

IUPACN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C
InChIInChI=1S/C22H26N2O3/c1-3-14-27-20-9-5-4-8-18(20)21(25)23-19-11-10-17(15-16(19)2)22(26)24-12-6-7-13-24/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3,(H,23,25)
InChIKeyMHIFIKFKWVCRLJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.27
Rot. Bonds6

About N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide

N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide (PubChem CID 131935889) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide
PubChem CID131935889
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C
InChIInChI=1S/C22H26N2O3/c1-3-14-27-20-9-5-4-8-18(20)21(25)23-19-11-10-17(15-16(19)2)22(26)24-12-6-7-13-24/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3,(H,23,25)
InChIKeyMHIFIKFKWVCRLJ-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]-2-hexoxybenzamide
CID 17199073
2-hexoxy-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167542
2-(2-methoxyethoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17355401
N-(2,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946491
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-propoxybenzamide
CID 4948823
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
2-ethoxy-N-[4-[4-[(2-ethoxybenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4556792
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
azocan-1-yl-[4-(ethylamino)-3-methylphenyl]methanone
CID 63209492
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 131900400
N-(3,4-dimethylphenyl)-2-[(2-propoxybenzoyl)amino]benzamide
CID 4948024
2-ethoxy-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234633

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide?
The IUPAC name of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide (CID 131935889) is N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide.
What is the SMILES notation for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide?
The canonical SMILES for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C.
What is the InChIKey of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide?
The InChIKey is MHIFIKFKWVCRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-14-27-20-9-5-4-8-18(20)21(25)23-19-11-10-17(15-16(19)2)22(26)24-12-6-7-13-24/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide?
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide has a molecular weight of 366.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-2-propoxybenzamide is sourced from PubChem (CID 131935889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).