3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide

C20H22N2O3 — CID 17196395

IUPAC3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C20H22N2O3/c1-2-25-18-7-5-6-16(14-18)19(23)21-17-10-8-15(9-11-17)20(24)22-12-3-4-13-22/h5-11,14H,2-4,12-13H2,1H3,(H,21,23)
InChIKeyFNVCTTRTNNYVBY-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.57
Rot. Bonds5

About 3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide

3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 17196395) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID17196395
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C20H22N2O3/c1-2-25-18-7-5-6-16(14-18)19(23)21-17-10-8-15(9-11-17)20(24)22-12-3-4-13-22/h5-11,14H,2-4,12-13H2,1H3,(H,21,23)
InChIKeyFNVCTTRTNNYVBY-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668
N-[4-(azepane-1-carbonyl)phenyl]-3-(3-methylbutoxy)benzamide
CID 17199103
3-[(2-chlorophenyl)methoxy]-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 100750028
3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161679
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(2-ethoxyethoxy)benzamide
CID 17199402
3-butoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179701
3-ethoxy-N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17179847
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119182217

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 17196395) is 3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide is CCOc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1.
What is the InChIKey of 3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is FNVCTTRTNNYVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-25-18-7-5-6-16(14-18)19(23)21-17-10-8-15(9-11-17)20(24)22-12-3-4-13-22/h5-11,14H,2-4,12-13H2,1H3,(H,21,23).
What are the key properties of 3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide?
3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17196395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).