3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea

C20H25N3O2 — CID 97277934

IUPAC3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea
SMILESCOc1cccc(-c2cccc(NC(=O)N(C)[C@@H]3CCN(C)C3)c2)c1
InChIInChI=1S/C20H25N3O2/c1-22-11-10-18(14-22)23(2)20(24)21-17-8-4-6-15(12-17)16-7-5-9-19(13-16)25-3/h4-9,12-13,18H,10-11,14H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeySGIXMXHXJBMHPH-GOSISDBHSA-N
MW339.44 g/mol
LogP3.53
Rot. Bonds4

About 3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea

3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea (PubChem CID 97277934) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea
PubChem CID97277934
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea
SMILESCOc1cccc(-c2cccc(NC(=O)N(C)[C@@H]3CCN(C)C3)c2)c1
InChIInChI=1S/C20H25N3O2/c1-22-11-10-18(14-22)23(2)20(24)21-17-8-4-6-15(12-17)16-7-5-9-19(13-16)25-3/h4-9,12-13,18H,10-11,14H2,1-3H3,(H,21,24)/t18-/m1/s1
InChIKeySGIXMXHXJBMHPH-GOSISDBHSA-N
XLogP3.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothian-4-yl)-3-[3-(3-methoxyphenyl)phenyl]-1-methylurea
CID 118793325
1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 125174576
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 66187335
N-[3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]phenyl]acetamide
CID 108884073
3-(3-hydroxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108895704
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea
CID 99635550
(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 72849322
3-(2,6-dimethoxyphenyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108867823
1-[1-(3-cyanopyrazin-2-yl)azetidin-3-yl]-3-(3-methoxyphenyl)-1-methylurea
CID 139029366
3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 7543898
1-(3-hydroxypropyl)-N-[3-(3-methoxyphenyl)phenyl]piperidine-2-carboxamide
CID 72877644
N-[3-(3-methoxyphenyl)phenyl]-1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxamide
CID 72853141

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea?
The IUPAC name of 3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea (CID 97277934) is 3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea?
The canonical SMILES for 3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea is COc1cccc(-c2cccc(NC(=O)N(C)[C@@H]3CCN(C)C3)c2)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea?
The InChIKey is SGIXMXHXJBMHPH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22-11-10-18(14-22)23(2)20(24)21-17-8-4-6-15(12-17)16-7-5-9-19(13-16)25-3/h4-9,12-13,18H,10-11,14H2,1-3H3,(H,21,24)/t18-/m1/s1.
What are the key properties of 3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea?
3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea has a molecular weight of 339.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea is sourced from PubChem (CID 97277934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).