1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea

C18H22N2O — CID 27474756

IUPAC1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N[C@@H](C)c2ccc(C)cc2C)c1
InChIInChI=1S/C18H22N2O/c1-12-6-5-7-16(11-12)20-18(21)19-15(4)17-9-8-13(2)10-14(17)3/h5-11,15H,1-4H3,(H2,19,20,21)/t15-/m0/s1
InChIKeyMTJAZLOKMVCSIB-HNNXBMFYSA-N
MW282.39 g/mol
LogP4.49
Rot. Bonds3

About 1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea

1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea (PubChem CID 27474756) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea
PubChem CID27474756
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N[C@@H](C)c2ccc(C)cc2C)c1
InChIInChI=1S/C18H22N2O/c1-12-6-5-7-16(11-12)20-18(21)19-15(4)17-9-8-13(2)10-14(17)3/h5-11,15H,1-4H3,(H2,19,20,21)/t15-/m0/s1
InChIKeyMTJAZLOKMVCSIB-HNNXBMFYSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153652
1-(4-chlorophenyl)-3-[(1S)-1-(2,4-dimethylphenyl)ethyl]urea
CID 94841865
1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 19675250
N-[3-[1-(2,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193742
1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
CID 47103423
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
N'-[(1R)-1-(2,4-dimethylphenyl)ethyl]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 7201553
1-[1-(2,4-dimethylphenyl)ethyl]-3-(3-fluorophenyl)thiourea
CID 19675224
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea (CID 27474756) is 1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)N[C@@H](C)c2ccc(C)cc2C)c1.
What is the InChIKey of 1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea?
The InChIKey is MTJAZLOKMVCSIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-6-5-7-16(11-12)20-18(21)19-15(4)17-9-8-13(2)10-14(17)3/h5-11,15H,1-4H3,(H2,19,20,21)/t15-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea?
1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea has a molecular weight of 282.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 27474756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).