1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea

C22H23N3O — CID 108900768

IUPAC1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
SMILESCc1cccc(CCNC(=O)Nc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C22H23N3O/c1-17-6-5-7-18(16-17)14-15-23-22(26)25-21-12-10-20(11-13-21)24-19-8-3-2-4-9-19/h2-13,16,24H,14-15H2,1H3,(H2,23,25,26)
InChIKeyYUEXHCJFKBQBGN-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.10
Rot. Bonds6

About 1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea

1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea (PubChem CID 108900768) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
PubChem CID108900768
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
SMILESCc1cccc(CCNC(=O)Nc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C22H23N3O/c1-17-6-5-7-18(16-17)14-15-23-22(26)25-21-12-10-20(11-13-21)24-19-8-3-2-4-9-19/h2-13,16,24H,14-15H2,1H3,(H2,23,25,26)
InChIKeyYUEXHCJFKBQBGN-UHFFFAOYSA-N
XLogP5.10
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(3-methylphenyl)ethylcarbamoylamino]phenyl]acetic acid
CID 108900747
ethyl 4-[2-(3-methylphenyl)ethylcarbamoylamino]benzoate
CID 108900678
1-[2-(3-methylphenyl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871999
1-[2-(3-methylphenyl)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108900783
1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899723
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide
CID 62314821
N'-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]oxamide
CID 60611333
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108900770
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea?
The IUPAC name of 1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea (CID 108900768) is 1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea is Cc1cccc(CCNC(=O)Nc2ccc(Nc3ccccc3)cc2)c1.
What is the InChIKey of 1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea?
The InChIKey is YUEXHCJFKBQBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-17-6-5-7-18(16-17)14-15-23-22(26)25-21-12-10-20(11-13-21)24-19-8-3-2-4-9-19/h2-13,16,24H,14-15H2,1H3,(H2,23,25,26).
What are the key properties of 1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea?
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea has a molecular weight of 345.45 g/mol, XLogP of 5.10, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea is sourced from PubChem (CID 108900768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).