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

C22H23N3O — CID 108899723

IUPAC1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H23N3O/c1-17-7-5-6-8-18(17)15-16-23-22(26)25-21-13-11-20(12-14-21)24-19-9-3-2-4-10-19/h2-14,24H,15-16H2,1H3,(H2,23,25,26)
InChIKeySDUYWGCEINYZRO-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.10
Rot. Bonds6

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

1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea (PubChem CID 108899723) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea
PubChem CID108899723
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C22H23N3O/c1-17-7-5-6-8-18(17)15-16-23-22(26)25-21-13-11-20(12-14-21)24-19-9-3-2-4-10-19/h2-14,24H,15-16H2,1H3,(H2,23,25,26)
InChIKeySDUYWGCEINYZRO-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

1-[2-(2-methylphenyl)ethyl]-3-(4-phenoxyphenyl)urea
CID 108899665
methyl 4-[2-(2-methylphenyl)ethylcarbamoylamino]benzoate
CID 108899743
[4-[2-(2-methylphenyl)ethylcarbamoylamino]phenyl] thiocyanate
CID 108899741
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
1-(4-anilinophenyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900768
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
1-[2-(2-methylphenyl)ethyl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56519577
1-(2-hydroxy-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899779
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108873482

Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea (CID 108899723) is 1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea is Cc1ccccc1CCNC(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea?
The InChIKey is SDUYWGCEINYZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-17-7-5-6-8-18(17)15-16-23-22(26)25-21-13-11-20(12-14-21)24-19-9-3-2-4-10-19/h2-14,24H,15-16H2,1H3,(H2,23,25,26).
What are the key properties of 1-(4-anilinophenyl)-3-[2-(2-methylphenyl)ethyl]urea?
1-(4-anilinophenyl)-3-[2-(2-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-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 108899723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).