1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide

C19H22N2O2 — CID 75501255

IUPAC1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1cc(-c2ccccc2)ccc1CN1CCC(C(N)=O)C1
InChIInChI=1S/C19H22N2O2/c1-23-18-11-15(14-5-3-2-4-6-14)7-8-16(18)12-21-10-9-17(13-21)19(20)22/h2-8,11,17H,9-10,12-13H2,1H3,(H2,20,22)
InChIKeyMTERQPSTAZUOPY-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.67
Rot. Bonds5

About 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide

1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 75501255) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID75501255
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1cc(-c2ccccc2)ccc1CN1CCC(C(N)=O)C1
InChIInChI=1S/C19H22N2O2/c1-23-18-11-15(14-5-3-2-4-6-14)7-8-16(18)12-21-10-9-17(13-21)19(20)22/h2-8,11,17H,9-10,12-13H2,1H3,(H2,20,22)
InChIKeyMTERQPSTAZUOPY-UHFFFAOYSA-N
XLogP2.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3,4-dihydroxy-1-[(2-methoxy-4-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 166314997
(3S)-1-[(2,5-dichloro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 97332108
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 114081799
(6R)-1-[(2-methoxyphenyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 125011765
oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 163326830
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 75438342
(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 27267231
(3R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]pyrrolidine-3-carboxamide
CID 97252909

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide (CID 75501255) is 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide is COc1cc(-c2ccccc2)ccc1CN1CCC(C(N)=O)C1.
What is the InChIKey of 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is MTERQPSTAZUOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-18-11-15(14-5-3-2-4-6-14)7-8-16(18)12-21-10-9-17(13-21)19(20)22/h2-8,11,17H,9-10,12-13H2,1H3,(H2,20,22).
What are the key properties of 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide?
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 75501255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).