1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide

C26H26N2O3 — CID 167901703

IUPAC1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3ccccc3COc3ccccc3)CC2=O)cc1
InChIInChI=1S/C26H26N2O3/c1-19-11-13-20(14-12-19)16-28-17-22(15-25(28)29)26(30)27-24-10-6-5-7-21(24)18-31-23-8-3-2-4-9-23/h2-14,22H,15-18H2,1H3,(H,27,30)
InChIKeyLRQNNRWHVOGEOF-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.56
Rot. Bonds7

About 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide

1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 167901703) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID167901703
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3ccccc3COc3ccccc3)CC2=O)cc1
InChIInChI=1S/C26H26N2O3/c1-19-11-13-20(14-12-19)16-28-17-22(15-25(28)29)26(30)27-24-10-6-5-7-21(24)18-31-23-8-3-2-4-9-23/h2-14,22H,15-18H2,1H3,(H,27,30)
InChIKeyLRQNNRWHVOGEOF-UHFFFAOYSA-N
XLogP4.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904791
(3S)-1-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767576
methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 41118744
(3R)-1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40625044
phenyl (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 8765157
1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42992516
(3S)-1-[(4-methylphenyl)methyl]-5-oxo-N'-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide
CID 95247764
1-[(3,4-dimethoxyphenyl)methyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185143
(3S)-1-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017840
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51064472
(3S)-1-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767596
(3R)-1-ethyl-N-[2-(methoxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94118374

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide (CID 167901703) is 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(=O)Nc3ccccc3COc3ccccc3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is LRQNNRWHVOGEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-19-11-13-20(14-12-19)16-28-17-22(15-25(28)29)26(30)27-24-10-6-5-7-21(24)18-31-23-8-3-2-4-9-23/h2-14,22H,15-18H2,1H3,(H,27,30).
What are the key properties of 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide?
1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-5-oxo-N-[2-(phenoxymethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 167901703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).