N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide

C23H28N2O2 — CID 170680012

IUPACN-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide
SMILESCc1ccc(C2CCOCC2)c(NC(=O)N2CCCC2c2ccccc2)c1
InChIInChI=1S/C23H28N2O2/c1-17-9-10-20(18-11-14-27-15-12-18)21(16-17)24-23(26)25-13-5-8-22(25)19-6-3-2-4-7-19/h2-4,6-7,9-10,16,18,22H,5,8,11-15H2,1H3,(H,24,26)
InChIKeyHTQVCNFBVXUDPE-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.26
Rot. Bonds3

About N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide

N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide (PubChem CID 170680012) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide
PubChem CID170680012
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide
SMILESCc1ccc(C2CCOCC2)c(NC(=O)N2CCCC2c2ccccc2)c1
InChIInChI=1S/C23H28N2O2/c1-17-9-10-20(18-11-14-27-15-12-18)21(16-17)24-23(26)25-13-5-8-22(25)19-6-3-2-4-7-19/h2-4,6-7,9-10,16,18,22H,5,8,11-15H2,1H3,(H,24,26)
InChIKeyHTQVCNFBVXUDPE-UHFFFAOYSA-N
XLogP5.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
(2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856141
(2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 94080902
N-(2-chlorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013090
(2S)-2-(4-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CID 51855647
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
(2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide
CID 97437174
(2R)-N-(2-methylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076709
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616
(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076725

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide (CID 170680012) is N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide is Cc1ccc(C2CCOCC2)c(NC(=O)N2CCCC2c2ccccc2)c1.
What is the InChIKey of N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide?
The InChIKey is HTQVCNFBVXUDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-9-10-20(18-11-14-27-15-12-18)21(16-17)24-23(26)25-13-5-8-22(25)19-6-3-2-4-7-19/h2-4,6-7,9-10,16,18,22H,5,8,11-15H2,1H3,(H,24,26).
What are the key properties of N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide?
N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(oxan-4-yl)phenyl]-2-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 170680012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).