1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea

C18H22N2O — CID 51295493

IUPAC1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
SMILESCc1cccc(NC(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C18H22N2O/c1-14(2)20(13-16-9-5-4-6-10-16)18(21)19-17-11-7-8-15(3)12-17/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyOAOBXUUILYTBTG-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.44
Rot. Bonds4

About 1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea

1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea (PubChem CID 51295493) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
PubChem CID51295493
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
SMILESCc1cccc(NC(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C18H22N2O/c1-14(2)20(13-16-9-5-4-6-10-16)18(21)19-17-11-7-8-15(3)12-17/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyOAOBXUUILYTBTG-UHFFFAOYSA-N
XLogP4.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
[3-[[benzyl(propan-2-yl)carbamoyl]amino]phenyl] acetate
CID 108865087
2-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 30099663
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
1-(3-aminopropyl)-3-(3-methylphenyl)-1-propan-2-ylurea
CID 43137073
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724
3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide
CID 10495245
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
1-[(1-benzylpyrrol-2-yl)methyl]-3-(3-chlorophenyl)-1-propan-2-ylurea
CID 42762830
1-benzyl-3-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1-propan-2-ylurea
CID 108873183
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea?
The IUPAC name of 1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea (CID 51295493) is 1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea?
The canonical SMILES for 1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea is Cc1cccc(NC(=O)N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of 1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea?
The InChIKey is OAOBXUUILYTBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(2)20(13-16-9-5-4-6-10-16)18(21)19-17-11-7-8-15(3)12-17/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of 1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea?
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea has a molecular weight of 282.39 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea is sourced from PubChem (CID 51295493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).