N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide

C22H26N2O3 — CID 131901390

IUPACN-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2cccc(OCCc3ccccc3)c2)C1
InChIInChI=1S/C22H26N2O3/c1-2-23-21(25)19-11-13-24(16-19)22(26)18-9-6-10-20(15-18)27-14-12-17-7-4-3-5-8-17/h3-10,15,19H,2,11-14,16H2,1H3,(H,23,25)
InChIKeySZFCMVGPIPZKOJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.91
Rot. Bonds7

About N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide

N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide (PubChem CID 131901390) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide
PubChem CID131901390
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2cccc(OCCc3ccccc3)c2)C1
InChIInChI=1S/C22H26N2O3/c1-2-23-21(25)19-11-13-24(16-19)22(26)18-9-6-10-20(15-18)27-14-12-17-7-4-3-5-8-17/h3-10,15,19H,2,11-14,16H2,1H3,(H,23,25)
InChIKeySZFCMVGPIPZKOJ-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[3-(2-phenylethoxy)phenyl]methanone
CID 125448030
(3S)-N-ethyl-1-(3-quinoxalin-2-ylbenzoyl)pyrrolidine-3-carboxamide
CID 126440042
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
(3R)-N-ethyl-1-[3-(3-methyl-2-pyridinyl)benzoyl]pyrrolidine-3-carboxamide
CID 125178146
1-(3-ethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793893
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 154842062
1-(3-ethoxybenzoyl)piperidine-3-carboxylic acid
CID 54794301
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 114802085
1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092864
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
1-(3-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 110246723

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide (CID 131901390) is N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide is CCNC(=O)C1CCN(C(=O)c2cccc(OCCc3ccccc3)c2)C1.
What is the InChIKey of N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide?
The InChIKey is SZFCMVGPIPZKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-23-21(25)19-11-13-24(16-19)22(26)18-9-6-10-20(15-18)27-14-12-17-7-4-3-5-8-17/h3-10,15,19H,2,11-14,16H2,1H3,(H,23,25).
What are the key properties of N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide?
N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(2-phenylethoxy)benzoyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 131901390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).