4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide

C21H24N2O3 — CID 119152144

IUPAC4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(OCCCc3ccccc3)C2)cc1
InChIInChI=1S/C21H24N2O3/c22-20(24)17-8-10-18(11-9-17)21(25)23-13-12-19(15-23)26-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H2,22,24)
InChIKeyCIMRBXXNWYGYLV-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.65
Rot. Bonds7

About 4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide

4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide (PubChem CID 119152144) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide
PubChem CID119152144
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(OCCCc3ccccc3)C2)cc1
InChIInChI=1S/C21H24N2O3/c22-20(24)17-8-10-18(11-9-17)21(25)23-13-12-19(15-23)26-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H2,22,24)
InChIKeyCIMRBXXNWYGYLV-UHFFFAOYSA-N
XLogP2.65
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]pyridine-3-carboxamide
CID 119152127
furan-3-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71976252
[4-(difluoromethylsulfonyl)phenyl]-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 96530094
furan-2-yl-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71860926
4-[[[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020316
2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119341905
(1-aminocyclopropyl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119815537
2-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977041
2-(methylamino)-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119815560
2-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]acetamide
CID 96558813
(2-methyl-1H-pyrrol-3-yl)-[3-(3-phenylpropoxy)pyrrolidin-1-yl]methanone
CID 71860925
2-[1-(hydroxymethyl)cyclopropyl]-1-[(3S)-3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 97015364

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide?
The IUPAC name of 4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide (CID 119152144) is 4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide.
What is the SMILES notation for 4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide?
The canonical SMILES for 4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide is NC(=O)c1ccc(C(=O)N2CCC(OCCCc3ccccc3)C2)cc1.
What is the InChIKey of 4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide?
The InChIKey is CIMRBXXNWYGYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c22-20(24)17-8-10-18(11-9-17)21(25)23-13-12-19(15-23)26-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H2,22,24).
What are the key properties of 4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide?
4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-phenylpropoxy)pyrrolidine-1-carbonyl]benzamide is sourced from PubChem (CID 119152144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).