1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea

C20H25N3O — CID 44578375

IUPAC1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea
SMILESCN(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C20H25N3O/c1-22(2)20(24)23(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,12-15H2,1-2H3/t18-/m0/s1
InChIKeyCPFZMZOYHKWMOT-SFHVURJKSA-N
MW323.44 g/mol
LogP3.20
Rot. Bonds4

About 1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea

1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea (PubChem CID 44578375) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea
PubChem CID44578375
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea
SMILESCN(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C20H25N3O/c1-22(2)20(24)23(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,12-15H2,1-2H3/t18-/m0/s1
InChIKeyCPFZMZOYHKWMOT-SFHVURJKSA-N
XLogP3.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.20
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
N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 44578265
N-methyl-3-(2-phenylphenoxy)-N-piperidin-4-ylpropanamide
CID 119443416
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-propanoyl-N-pyrrolidin-3-ylbenzamide
CID 121435576
2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11709831
3-(2-phenylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
CID 119825238
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea (CID 44578375) is 1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea is CN(C)C(=O)N(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1.
What is the InChIKey of 1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea?
The InChIKey is CPFZMZOYHKWMOT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22(2)20(24)23(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,12-15H2,1-2H3/t18-/m0/s1.
What are the key properties of 1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea?
1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea has a molecular weight of 323.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(2-phenylphenyl)methyl]-3-[(3S)-pyrrolidin-3-yl]urea is sourced from PubChem (CID 44578375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).