1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea

C18H22N2O2 — CID 100746647

IUPAC1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea
SMILESCC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccccc1C
InChIInChI=1S/C18H22N2O2/c1-4-17(16-11-6-5-8-13(16)2)20-18(21)19-14-9-7-10-15(12-14)22-3/h5-12,17H,4H2,1-3H3,(H2,19,20,21)/t17-/m1/s1
InChIKeyBRQYLRHODXDCAW-QGZVFWFLSA-N
MW298.39 g/mol
LogP4.28
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea

1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea (PubChem CID 100746647) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea
PubChem CID100746647
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea
SMILESCC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccccc1C
InChIInChI=1S/C18H22N2O2/c1-4-17(16-11-6-5-8-13(16)2)20-18(21)19-14-9-7-10-15(12-14)22-3/h5-12,17H,4H2,1-3H3,(H2,19,20,21)/t17-/m1/s1
InChIKeyBRQYLRHODXDCAW-QGZVFWFLSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
N'-butan-2-yl-N-(3-methoxyphenyl)oxamide
CID 44999404
1-(3-methoxyphenyl)-3-(1-phenoxypropan-2-yl)urea
CID 133204314
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
1-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 108869124
ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide
CID 71584556

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea (CID 100746647) is 1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea is CC[C@@H](NC(=O)Nc1cccc(OC)c1)c1ccccc1C.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea?
The InChIKey is BRQYLRHODXDCAW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-17(16-11-6-5-8-13(16)2)20-18(21)19-14-9-7-10-15(12-14)22-3/h5-12,17H,4H2,1-3H3,(H2,19,20,21)/t17-/m1/s1.
What are the key properties of 1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea?
1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea has a molecular weight of 298.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(1R)-1-(2-methylphenyl)propyl]urea is sourced from PubChem (CID 100746647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).