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

C22H27N3O — CID 44578265

IUPACN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(N1CCCC1)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C22H27N3O/c26-22(24-14-6-7-15-24)25(20-12-13-23-16-20)17-19-10-4-5-11-21(19)18-8-2-1-3-9-18/h1-5,8-11,20,23H,6-7,12-17H2/t20-/m0/s1
InChIKeyPMNGGGSGAMTCOG-FQEVSTJZSA-N
MW349.48 g/mol
LogP3.73
Rot. Bonds4

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

N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 44578265) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide
PubChem CID44578265
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(N1CCCC1)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C22H27N3O/c26-22(24-14-6-7-15-24)25(20-12-13-23-16-20)17-19-10-4-5-11-21(19)18-8-2-1-3-9-18/h1-5,8-11,20,23H,6-7,12-17H2/t20-/m0/s1
InChIKeyPMNGGGSGAMTCOG-FQEVSTJZSA-N
XLogP3.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11536862
1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea
CID 44578375
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
N-(2-methylpropyl)-N-[(2-phenylphenyl)methyl]piperidin-4-amine
CID 58624386
2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11709831
2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide
CID 121435576
tert-butyl N-[1-[benzyl(pyrrolidin-3-yl)carbamoyl]pyrrolidin-3-yl]carbamate
CID 91487965
N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119531751
N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738
3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532764
N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 60806860

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide (CID 44578265) is N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide is O=C(N1CCCC1)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is PMNGGGSGAMTCOG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(24-14-6-7-15-24)25(20-12-13-23-16-20)17-19-10-4-5-11-21(19)18-8-2-1-3-9-18/h1-5,8-11,20,23H,6-7,12-17H2/t20-/m0/s1.
What are the key properties of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 44578265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).