2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide

C16H23N3O2 — CID 18137773

IUPAC2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCCC1c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-2-10-17-16(21)18-15(20)12-19-11-6-9-14(19)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,17,18,20,21)
InChIKeyFFIXUULZSAVRTL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.06
Rot. Bonds5

About 2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide

2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide (PubChem CID 18137773) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
PubChem CID18137773
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1CCCC1c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-2-10-17-16(21)18-15(20)12-19-11-6-9-14(19)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,17,18,20,21)
InChIKeyFFIXUULZSAVRTL-UHFFFAOYSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 9402588
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
CID 47117656
2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370516
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
N-(2,6-dimethylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448251
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 47104744
N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 25398053
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
N-(2-acetylphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456108

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide (CID 18137773) is 2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1CCCC1c1ccccc1.
What is the InChIKey of 2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide?
The InChIKey is FFIXUULZSAVRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-10-17-16(21)18-15(20)12-19-11-6-9-14(19)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,17,18,20,21).
What are the key properties of 2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide?
2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 18137773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).