1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea

C18H22N2O — CID 2554170

IUPAC1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea
SMILESCc1cccc(NC(=O)N[C@H](C)CCc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-14-7-6-10-17(13-14)20-18(21)19-15(2)11-12-16-8-4-3-5-9-16/h3-10,13,15H,11-12H2,1-2H3,(H2,19,20,21)/t15-/m1/s1
InChIKeyOAWLUSODTPLMDS-OAHLLOKOSA-N
MW282.39 g/mol
LogP4.14
Rot. Bonds5

About 1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea

1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea (PubChem CID 2554170) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea
PubChem CID2554170
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea
SMILESCc1cccc(NC(=O)N[C@H](C)CCc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-14-7-6-10-17(13-14)20-18(21)19-15(2)11-12-16-8-4-3-5-9-16/h3-10,13,15H,11-12H2,1-2H3,(H2,19,20,21)/t15-/m1/s1
InChIKeyOAWLUSODTPLMDS-OAHLLOKOSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[4-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945466
2-methyl-N-[4-[[(2S)-4-phenylbutan-2-yl]carbamoylamino]phenyl]propanamide
CID 51945465
1-(2-bromophenyl)-3-(4-phenylbutan-2-yl)urea
CID 17217829
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
N-(3,3-diphenylpropyl)-2-[(3-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 42696561
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
N-(3-hydroxyphenyl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
CID 51973354
1-(3,5-difluoro-4-methoxyphenyl)-3-(4-phenylbutan-2-yl)urea
CID 60543351
(2S,3S)-3-methyl-2-[(3-methylphenyl)carbamoylamino]pentanoic acid
CID 28509192
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
N-[4-methoxy-3-[[(2R)-4-phenylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 52505928

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea (CID 2554170) is 1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea is Cc1cccc(NC(=O)N[C@H](C)CCc2ccccc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea?
The InChIKey is OAWLUSODTPLMDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-7-6-10-17(13-14)20-18(21)19-15(2)11-12-16-8-4-3-5-9-16/h3-10,13,15H,11-12H2,1-2H3,(H2,19,20,21)/t15-/m1/s1.
What are the key properties of 1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea?
1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea has a molecular weight of 282.39 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[(2R)-4-phenylbutan-2-yl]urea is sourced from PubChem (CID 2554170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).