1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea

C23H24N4O3 — CID 4154162

IUPAC1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C)cc2)cc1NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H24N4O3/c1-15-4-8-17(9-5-15)24-22(28)26-19-12-13-21(30-3)20(14-19)27-23(29)25-18-10-6-16(2)7-11-18/h4-14H,1-3H3,(H2,24,26,28)(H2,25,27,29)
InChIKeyXOHXMTWEAQVKMZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.60
Rot. Bonds5

About 1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea

1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea (PubChem CID 4154162) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea
PubChem CID4154162
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C)cc2)cc1NC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H24N4O3/c1-15-4-8-17(9-5-15)24-22(28)26-19-12-13-21(30-3)20(14-19)27-23(29)25-18-10-6-16(2)7-11-18/h4-14H,1-3H3,(H2,24,26,28)(H2,25,27,29)
InChIKeyXOHXMTWEAQVKMZ-UHFFFAOYSA-N
XLogP5.60
TPSA91.49 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea
CID 444581
1-(2-Methoxyphenyl)-3-naphthalen-2-ylurea
CID 443080
1-(2-Methoxyphenyl)-3-naphthalen-1-ylurea
CID 768067
N-(2-methoxyphenyl)-N'-(2-phenylethyl)urea
CID 853786
1-(P-Anisyl)-3-benzylurea
CID 2822852
1,1-Dibenzyl-3-(2-methoxyphenyl)urea
CID 3595656
3-(P-Anisyl)-1,1-dibenzylurea
CID 3717527
1,1-Dibenzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4167053
N-[4-(cyanomethyl)phenyl]-N'-(2-methoxyphenyl)urea
CID 2811977
1-(2,3-dihydro-1H-inden-5-yl)-3-(2-methoxyphenyl)urea
CID 4827268
N-(4-Methoxyphenyl)-N'-(4-phenylbutyl)urea
CID 24818737
1-(2-Methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 295260

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea (CID 4154162) is 1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea is COc1ccc(NC(=O)Nc2ccc(C)cc2)cc1NC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea?
The InChIKey is XOHXMTWEAQVKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-4-8-17(9-5-15)24-22(28)26-19-12-13-21(30-3)20(14-19)27-23(29)25-18-10-6-16(2)7-11-18/h4-14H,1-3H3,(H2,24,26,28)(H2,25,27,29).
What are the key properties of 1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea?
1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea has a molecular weight of 404.47 g/mol, XLogP of 5.60, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 4154162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).