1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea

C18H22N2O2 — CID 38152013

IUPAC1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
SMILESCOc1ccccc1CNC(=O)N[C@@H](C)c1ccccc1C
InChIInChI=1S/C18H22N2O2/c1-13-8-4-6-10-16(13)14(2)20-18(21)19-12-15-9-5-7-11-17(15)22-3/h4-11,14H,12H2,1-3H3,(H2,19,20,21)/t14-/m0/s1
InChIKeyJBYTYLVKBVLPPZ-AWEZNQCLSA-N
MW298.39 g/mol
LogP3.56
Rot. Bonds5

About 1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea

1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea (PubChem CID 38152013) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
PubChem CID38152013
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea
SMILESCOc1ccccc1CNC(=O)N[C@@H](C)c1ccccc1C
InChIInChI=1S/C18H22N2O2/c1-13-8-4-6-10-16(13)14(2)20-18(21)19-12-15-9-5-7-11-17(15)22-3/h4-11,14H,12H2,1-3H3,(H2,19,20,21)/t14-/m0/s1
InChIKeyJBYTYLVKBVLPPZ-AWEZNQCLSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 51274243
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38149207
1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 60541279
1-[(2,3-dimethoxyphenyl)methyl]-3-[1-(2-fluorophenyl)ethyl]urea
CID 47065818
methyl 2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylbutanoate
CID 4043344
1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea
CID 38221139
(2S,3S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 40614014
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42924612
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
(2S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-N,4-dimethylpentanamide
CID 94178980
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea (CID 38152013) is 1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea is COc1ccccc1CNC(=O)N[C@@H](C)c1ccccc1C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea?
The InChIKey is JBYTYLVKBVLPPZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-8-4-6-10-16(13)14(2)20-18(21)19-12-15-9-5-7-11-17(15)22-3/h4-11,14H,12H2,1-3H3,(H2,19,20,21)/t14-/m0/s1.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea?
1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-[(1S)-1-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 38152013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).