(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide

C24H28N2O4 — CID 42211902

IUPAC(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2C(=O)C2CCOCC2)cc1
InChIInChI=1S/C24H28N2O4/c1-29-19-10-8-17(9-11-19)20-5-2-3-6-21(20)25-23(27)22-7-4-14-26(22)24(28)18-12-15-30-16-13-18/h2-3,5-6,8-11,18,22H,4,7,12-16H2,1H3,(H,25,27)/t22-/m1/s1
InChIKeyIQWDHJLFVMHLNW-JOCHJYFZSA-N
MW408.50 g/mol
LogP3.72
Rot. Bonds5

About (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide

(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 42211902) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID42211902
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2C(=O)C2CCOCC2)cc1
InChIInChI=1S/C24H28N2O4/c1-29-19-10-8-17(9-11-19)20-5-2-3-6-21(20)25-23(27)22-7-4-14-26(22)24(28)18-12-15-30-16-13-18/h2-3,5-6,8-11,18,22H,4,7,12-16H2,1H3,(H,25,27)/t22-/m1/s1
InChIKeyIQWDHJLFVMHLNW-JOCHJYFZSA-N
XLogP3.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(4-methoxyphenyl)phenyl]-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 42515952
N-[2-(4-methoxyphenyl)phenyl]-1-pent-4-enoylpyrrolidine-2-carboxamide
CID 45192068
(2R)-1-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42362496
(2R)-1-N-phenyl-2-N-(2-phenylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51687470
1-(cyclopropylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 56857067
1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702695
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 45215558
(2S)-1-(cyclopropanecarbonyl)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 131909515
(2S)-1-[(3S)-1-acetylpiperidine-3-carbonyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 52512688
N-[2-(4-methoxyphenyl)phenyl]-1-pentan-3-ylpiperidine-3-carboxamide
CID 45243690
N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide
CID 45228808
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 25287412

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide (CID 42211902) is (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide is COc1ccc(-c2ccccc2NC(=O)[C@H]2CCCN2C(=O)C2CCOCC2)cc1.
What is the InChIKey of (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is IQWDHJLFVMHLNW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-29-19-10-8-17(9-11-19)20-5-2-3-6-21(20)25-23(27)22-7-4-14-26(22)24(28)18-12-15-30-16-13-18/h2-3,5-6,8-11,18,22H,4,7,12-16H2,1H3,(H,25,27)/t22-/m1/s1.
What are the key properties of (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-methoxyphenyl)phenyl]-1-(oxane-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42211902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).