3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide

C21H24N2O3 — CID 26161679

IUPAC3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCCCOc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C21H24N2O3/c1-2-13-26-19-10-6-7-16(15-19)20(24)22-18-9-5-8-17(14-18)21(25)23-11-3-4-12-23/h5-10,14-15H,2-4,11-13H2,1H3,(H,22,24)
InChIKeyPEWPHDYRBSXYDJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.96
Rot. Bonds6

About 3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide

3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 26161679) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID26161679
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCCCOc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C21H24N2O3/c1-2-13-26-19-10-6-7-16(15-19)20(24)22-18-9-5-8-17(14-18)21(25)23-11-3-4-12-23/h5-10,14-15H,2-4,11-13H2,1H3,(H,22,24)
InChIKeyPEWPHDYRBSXYDJ-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(morpholine-4-carbonyl)phenyl]-3-propoxybenzamide
CID 17205539
N-[3-(azepane-1-carbonyl)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 26159512
3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168534
N-[3-(azepane-1-carbonyl)phenyl]-4-butoxybenzamide
CID 26159451
4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168496
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196395
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
(E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 98823643
N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17199103

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 26161679) is 3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide is CCCOc1cccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of 3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is PEWPHDYRBSXYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-13-26-19-10-6-7-16(15-19)20(24)22-18-9-5-8-17(14-18)21(25)23-11-3-4-12-23/h5-10,14-15H,2-4,11-13H2,1H3,(H,22,24).
What are the key properties of 3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 26161679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).