2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

C17H23N3O3 — CID 41415745

IUPAC2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCC[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C17H23N3O3/c1-3-9-18-17(22)19-16(21)12-20-10-5-8-15(20)13-6-4-7-14(11-13)23-2/h3-4,6-7,11,15H,1,5,8-10,12H2,2H3,(H2,18,19,21,22)/t15-/m1/s1
InChIKeyIEUBYMOVZSFLPG-OAHLLOKOSA-N
MW317.39 g/mol
LogP1.84
Rot. Bonds6

About 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 41415745) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID41415745
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCC[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C17H23N3O3/c1-3-9-18-17(22)19-16(21)12-20-10-5-8-15(20)13-6-4-7-14(11-13)23-2/h3-4,6-7,11,15H,1,5,8-10,12H2,2H3,(H2,18,19,21,22)/t15-/m1/s1
InChIKeyIEUBYMOVZSFLPG-OAHLLOKOSA-N
XLogP1.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 17445025
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 55498802
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79285595
N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
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 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (CID 41415745) is 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN1CCC[C@@H]1c1cccc(OC)c1.
What is the InChIKey of 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is IEUBYMOVZSFLPG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-9-18-17(22)19-16(21)12-20-10-5-8-15(20)13-6-4-7-14(11-13)23-2/h3-4,6-7,11,15H,1,5,8-10,12H2,2H3,(H2,18,19,21,22)/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 41415745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).