1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea

C19H24N2O2 — CID 113216413

IUPAC1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C19H24N2O2/c1-14-7-5-6-8-15(14)13-20-18(22)21-19(2,3)16-9-11-17(23-4)12-10-16/h5-12H,13H2,1-4H3,(H2,20,21,22)
InChIKeyAOQMWKXTSGNPJJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.74
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea

1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 113216413) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea
PubChem CID113216413
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea
SMILESCOc1ccc(C(C)(C)NC(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C19H24N2O2/c1-14-7-5-6-8-15(14)13-20-18(22)21-19(2,3)16-9-11-17(23-4)12-10-16/h5-12H,13H2,1-4H3,(H2,20,21,22)
InChIKeyAOQMWKXTSGNPJJ-UHFFFAOYSA-N
XLogP3.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216418
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216421
1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216496
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216461
1-[2-(dimethylamino)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216404
N'-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7292696
2-(4-methoxyphenyl)-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113040895
N-(4-methoxyphenyl)-2-(2-methylphenyl)acetamide
CID 6467093
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345718
3-methoxy-N-[(2-methylphenyl)methyl]naphthalene-2-carboxamide
CID 9104702
4-methyl-4-[(2-methylphenyl)methylcarbamoylamino]pentanoic acid
CID 62048340
2-(2,5-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 78806562

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea (CID 113216413) is 1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea is COc1ccc(C(C)(C)NC(=O)NCc2ccccc2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is AOQMWKXTSGNPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-7-5-6-8-15(14)13-20-18(22)21-19(2,3)16-9-11-17(23-4)12-10-16/h5-12H,13H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea?
1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 312.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 113216413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).