(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide

C22H26N2O3 — CID 93017903

IUPAC(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2C[C@@H](C(=O)NCCCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C22H26N2O3/c1-27-20-11-9-18(10-12-20)15-24-16-19(14-21(24)25)22(26)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyBLGXBHKHSWZLDJ-IBGZPJMESA-N
MW366.46 g/mol
LogP2.79
Rot. Bonds8

About (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide

(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide (PubChem CID 93017903) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
PubChem CID93017903
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(CN2C[C@@H](C(=O)NCCCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C22H26N2O3/c1-27-20-11-9-18(10-12-20)15-24-16-19(14-21(24)25)22(26)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyBLGXBHKHSWZLDJ-IBGZPJMESA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.79
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

1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4126186
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
(3S)-N-(3-ethoxypropyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95297128
(3R)-1-[(4-chlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]-6-oxopiperidine-3-carboxamide
CID 25385822
N-[2-(4-methoxyphenyl)ethyl]-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183174
(3R)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 35672749
methyl 2-[[(3R)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95293242
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
(3R)-1-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 92696440
(3S)-N-[3-(dimethylamino)-3-oxopropyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95297526

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide (CID 93017903) is (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide is COc1ccc(CN2C[C@@H](C(=O)NCCCc3ccccc3)CC2=O)cc1.
What is the InChIKey of (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is BLGXBHKHSWZLDJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-20-11-9-18(10-12-20)15-24-16-19(14-21(24)25)22(26)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide?
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 93017903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).