2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide

C26H28N2O4 — CID 60543502

IUPAC2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)Nc2ccccc2COc2ccccc2)c1
InChIInChI=1S/C26H28N2O4/c1-30-21-14-15-25(31-2)22(17-21)24-13-8-16-28(24)26(29)27-23-12-7-6-9-19(23)18-32-20-10-4-3-5-11-20/h3-7,9-12,14-15,17,24H,8,13,16,18H2,1-2H3,(H,27,29)
InChIKeyBFAAOMPFUDTNFW-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.65
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide

2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 60543502) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID60543502
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(OC)c(C2CCCN2C(=O)Nc2ccccc2COc2ccccc2)c1
InChIInChI=1S/C26H28N2O4/c1-30-21-14-15-25(31-2)22(17-21)24-13-8-16-28(24)26(29)27-23-12-7-6-9-19(23)18-32-20-10-4-3-5-11-20/h3-7,9-12,14-15,17,24H,8,13,16,18H2,1-2H3,(H,27,29)
InChIKeyBFAAOMPFUDTNFW-UHFFFAOYSA-N
XLogP5.65
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51204890
2-(2,5-dimethoxyphenyl)-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 60562617
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
(2R)-2-methyl-N-[2-(phenoxymethyl)phenyl]piperidine-1-carboxamide
CID 97092330
N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 55697171
N-[4-[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 17470320
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
butyl 4-[[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 55741266
3-[[2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 119912252
2-(2,5-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]pyrrolidine-1-carboxamide
CID 60551262
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8832997
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-iodophenoxy)ethanone
CID 55388722

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide (CID 60543502) is 2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide is COc1ccc(OC)c(C2CCCN2C(=O)Nc2ccccc2COc2ccccc2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is BFAAOMPFUDTNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-30-21-14-15-25(31-2)22(17-21)24-13-8-16-28(24)26(29)27-23-12-7-6-9-19(23)18-32-20-10-4-3-5-11-20/h3-7,9-12,14-15,17,24H,8,13,16,18H2,1-2H3,(H,27,29).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide?
2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[2-(phenoxymethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60543502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).