N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide

C20H24N2O — CID 11536862

IUPACN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C20H24N2O/c1-2-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m0/s1
InChIKeyDNSFFPXOVPKGCT-SFHVURJKSA-N
MW308.43 g/mol
LogP3.45
Rot. Bonds5

About N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide

N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 11536862) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID11536862
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C20H24N2O/c1-2-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m0/s1
InChIKeyDNSFFPXOVPKGCT-SFHVURJKSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea
CID 44578375
N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 44578265
2-phenyl-N-propanoyl-N-pyrrolidin-3-ylbenzamide
CID 121435576
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
N-(2-methylpropyl)-N-[(2-phenylphenyl)methyl]piperidin-4-amine
CID 58624386
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11709831
2-(1,3-dioxoisoindol-2-yl)-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 82177104
N-methyl-3-(2-phenylphenoxy)-N-piperidin-4-ylpropanamide
CID 119443416
3-(2-phenylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
CID 119825238
3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 62367590
3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532764

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide (CID 11536862) is N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide is CCC(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is DNSFFPXOVPKGCT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-20(23)22(18-12-13-21-14-18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16/h3-11,18,21H,2,12-15H2,1H3/t18-/m0/s1.
What are the key properties of N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 308.43 g/mol, XLogP of 3.45, 5 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]propanamide is sourced from PubChem (CID 11536862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).