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

C19H22N2O — CID 146358334

IUPAC1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H22N2O/c1-21-12-6-11-18(21)19(22)20-14-15-7-5-10-17(13-15)16-8-3-2-4-9-16/h2-5,7-10,13,18H,6,11-12,14H2,1H3,(H,20,22)
InChIKeyJMMAIOQSODVHHI-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.06
Rot. Bonds4

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

1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 146358334) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID146358334
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H22N2O/c1-21-12-6-11-18(21)19(22)20-14-15-7-5-10-17(13-15)16-8-3-2-4-9-16/h2-5,7-10,13,18H,6,11-12,14H2,1H3,(H,20,22)
InChIKeyJMMAIOQSODVHHI-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide (CID 146358334) is 1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide is CN1CCCC1C(=O)NCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is JMMAIOQSODVHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21-12-6-11-18(21)19(22)20-14-15-7-5-10-17(13-15)16-8-3-2-4-9-16/h2-5,7-10,13,18H,6,11-12,14H2,1H3,(H,20,22).
What are the key properties of 1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide?
1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 146358334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).