1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea

C18H22N2O2 — CID 17480798

IUPAC1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
SMILESCOc1ccc(C(NC(=O)Nc2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H22N2O2/c1-13(2)17(14-9-11-16(22-3)12-10-14)20-18(21)19-15-7-5-4-6-8-15/h4-13,17H,1-3H3,(H2,19,20,21)
InChIKeyRINSZJBMNNAGRL-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.21
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea

1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea (PubChem CID 17480798) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
PubChem CID17480798
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea
SMILESCOc1ccc(C(NC(=O)Nc2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H22N2O2/c1-13(2)17(14-9-11-16(22-3)12-10-14)20-18(21)19-15-7-5-4-6-8-15/h4-13,17H,1-3H3,(H2,19,20,21)
InChIKeyRINSZJBMNNAGRL-UHFFFAOYSA-N
XLogP4.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2-methyl-1-phenylpropyl]-3-phenylurea
CID 27734199
1-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 28958845
1-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylurea
CID 92685488
2-anilino-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693477
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-(3-phenylpropyl)urea
CID 134042561
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
4-acetamido-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 22107827
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-phenyl-3-[(1R)-2,2,2-trichloro-1-(4-methoxyphenoxy)ethyl]urea
CID 1381271

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea?
The IUPAC name of 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea (CID 17480798) is 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea is COc1ccc(C(NC(=O)Nc2ccccc2)C(C)C)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea?
The InChIKey is RINSZJBMNNAGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2)17(14-9-11-16(22-3)12-10-14)20-18(21)19-15-7-5-4-6-8-15/h4-13,17H,1-3H3,(H2,19,20,21).
What are the key properties of 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea?
1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea has a molecular weight of 298.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-2-methylpropyl]-3-phenylurea is sourced from PubChem (CID 17480798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).