1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea

C18H23N3O — CID 3908392

IUPAC1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C18H23N3O/c1-14-9-11-16(12-10-14)20-18(22)19-13-17(21(2)3)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H2,19,20,22)
InChIKeyAMORGMKKSNTPCK-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.42
Rot. Bonds5

About 1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea

1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea (PubChem CID 3908392) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea
PubChem CID3908392
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(c2ccccc2)N(C)C)cc1
InChIInChI=1S/C18H23N3O/c1-14-9-11-16(12-10-14)20-18(22)19-13-17(21(2)3)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H2,19,20,22)
InChIKeyAMORGMKKSNTPCK-UHFFFAOYSA-N
XLogP3.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea (CID 3908392) is 1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCC(c2ccccc2)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea?
The InChIKey is AMORGMKKSNTPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-9-11-16(12-10-14)20-18(22)19-13-17(21(2)3)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea?
1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea has a molecular weight of 297.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-phenylethyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 3908392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).