N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

C16H23N3O3 — CID 41415749

IUPACN-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCCNC(=O)NC(=O)CN1CCC[C@H]1c1cccc(OC)c1
InChIInChI=1S/C16H23N3O3/c1-3-17-16(21)18-15(20)11-19-9-5-8-14(19)12-6-4-7-13(10-12)22-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3,(H2,17,18,20,21)/t14-/m0/s1
InChIKeyNMUBABAQDHAABM-AWEZNQCLSA-N
MW305.38 g/mol
LogP1.68
Rot. Bonds5

About N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 41415749) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID41415749
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCCNC(=O)NC(=O)CN1CCC[C@H]1c1cccc(OC)c1
InChIInChI=1S/C16H23N3O3/c1-3-17-16(21)18-15(20)11-19-9-5-8-14(19)12-6-4-7-13(10-12)22-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3,(H2,17,18,20,21)/t14-/m0/s1
InChIKeyNMUBABAQDHAABM-AWEZNQCLSA-N
XLogP1.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 17445025
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 41415745
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 55498802
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51474720
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
N-(benzylcarbamoyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 26648081
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41269116
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41416275

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (CID 41415749) is N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is CCNC(=O)NC(=O)CN1CCC[C@H]1c1cccc(OC)c1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is NMUBABAQDHAABM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-17-16(21)18-15(20)11-19-9-5-8-14(19)12-6-4-7-13(10-12)22-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3,(H2,17,18,20,21)/t14-/m0/s1.
What are the key properties of N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 41415749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).