N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide

C19H22N2O — CID 119685570

IUPACN-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22N2O/c1-14(21-19(22)18-11-12-20-13-18)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18,20H,11-13H2,1H3,(H,21,22)
InChIKeyCODUZVFVZZVAJW-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.14
Rot. Bonds4

About N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide

N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 119685570) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
PubChem CID119685570
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22N2O/c1-14(21-19(22)18-11-12-20-13-18)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18,20H,11-13H2,1H3,(H,21,22)
InChIKeyCODUZVFVZZVAJW-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
CID 55150795
N-[(1R)-1-phenylethyl]azetidine-3-carboxamide
CID 79026254
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119288571
N-[1-(4-phenoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119313460
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide (CID 119685570) is N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide is CC(NC(=O)C1CCNC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is CODUZVFVZZVAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14(21-19(22)18-11-12-20-13-18)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18,20H,11-13H2,1H3,(H,21,22).
What are the key properties of N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide?
N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119685570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).