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

C19H24N2O — CID 18144066

IUPAC1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
SMILESCc1ccccc1CCNC(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-15-9-7-8-10-17(15)13-14-20-19(22)21(3)16(2)18-11-5-4-6-12-18/h4-12,16H,13-14H2,1-3H3,(H,20,22)
InChIKeyYNPNHEWJZYIADA-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.94
Rot. Bonds5

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

1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea (PubChem CID 18144066) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
PubChem CID18144066
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea
SMILESCc1ccccc1CCNC(=O)N(C)C(C)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-15-9-7-8-10-17(15)13-14-20-19(22)21(3)16(2)18-11-5-4-6-12-18/h4-12,16H,13-14H2,1-3H3,(H,20,22)
InChIKeyYNPNHEWJZYIADA-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
CID 86914055
1-[1-(4-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 51324617
3-butyl-1-methyl-1-(1-phenylethyl)urea
CID 102439407
2-methyl-3-[methyl-[2-(2-methylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 79757557
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
N-[2-(2-methylphenyl)ethyl]-2-(1-phenylethylsulfanyl)acetamide
CID 78851393
N-[2-(2-methylphenyl)ethyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132988
1-methyl-3-[2-(N-methylanilino)ethyl]-1-[1-(4-methylphenyl)ethyl]urea
CID 78886133
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007647

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea?
The IUPAC name of 1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea (CID 18144066) is 1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea.
What is the SMILES notation for 1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea?
The canonical SMILES for 1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea is Cc1ccccc1CCNC(=O)N(C)C(C)c1ccccc1.
What is the InChIKey of 1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea?
The InChIKey is YNPNHEWJZYIADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-9-7-8-10-17(15)13-14-20-19(22)21(3)16(2)18-11-5-4-6-12-18/h4-12,16H,13-14H2,1-3H3,(H,20,22).
What are the key properties of 1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea?
1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea has a molecular weight of 296.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-methylphenyl)ethyl]-1-(1-phenylethyl)urea is sourced from PubChem (CID 18144066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).