1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea

C18H22N2O — CID 40629630

IUPAC1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
SMILESCC[C@@H](NC(=O)Nc1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-4-16(15-8-6-5-7-9-15)19-18(21)20-17-11-10-13(2)12-14(17)3/h5-12,16H,4H2,1-3H3,(H2,19,20,21)/t16-/m1/s1
InChIKeyZEMPTUXOPQAFLW-MRXNPFEDSA-N
MW282.39 g/mol
LogP4.58
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea

1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea (PubChem CID 40629630) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
PubChem CID40629630
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea
SMILESCC[C@@H](NC(=O)Nc1ccc(C)cc1C)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-4-16(15-8-6-5-7-9-15)19-18(21)20-17-11-10-13(2)12-14(17)3/h5-12,16H,4H2,1-3H3,(H2,19,20,21)/t16-/m1/s1
InChIKeyZEMPTUXOPQAFLW-MRXNPFEDSA-N
XLogP4.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea
CID 17181991
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187462
3-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187279
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452600
1-(2-methoxyphenyl)-3-[1-(4-methylphenyl)propyl]urea
CID 133204326
N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54805959
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898040
(2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 945244

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea (CID 40629630) is 1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea is CC[C@@H](NC(=O)Nc1ccc(C)cc1C)c1ccccc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea?
The InChIKey is ZEMPTUXOPQAFLW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-16(15-8-6-5-7-9-15)19-18(21)20-17-11-10-13(2)12-14(17)3/h5-12,16H,4H2,1-3H3,(H2,19,20,21)/t16-/m1/s1.
What are the key properties of 1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea?
1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea has a molecular weight of 282.39 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[(1R)-1-phenylpropyl]urea is sourced from PubChem (CID 40629630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).