1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea

C23H23N3O3 — CID 102245871

IUPAC1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
SMILESCOc1ccc(NC(=O)N(C(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-16-4-8-18(9-5-16)24-22(27)26(20-12-6-17(2)7-13-20)23(28)25-19-10-14-21(29-3)15-11-19/h4-15H,1-3H3,(H,24,27)(H,25,28)
InChIKeyVQKVNRUEQASFDE-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.58
Rot. Bonds4

About 1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea

1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea (PubChem CID 102245871) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
PubChem CID102245871
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
SMILESCOc1ccc(NC(=O)N(C(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-16-4-8-18(9-5-16)24-22(27)26(20-12-6-17(2)7-13-20)23(28)25-19-10-14-21(29-3)15-11-19/h4-15H,1-3H3,(H,24,27)(H,25,28)
InChIKeyVQKVNRUEQASFDE-UHFFFAOYSA-N
XLogP5.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
CID 134218618
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
S-(4-methylphenyl) N-(4-methoxyphenyl)carbamothioate
CID 56840073
N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N'-(2-amino-5-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502699
1-[(2,4-dimethylphenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 46577510
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
3-(4-methoxyphenyl)-1,1-dipropylurea
CID 3574765
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea?
The IUPAC name of 1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea (CID 102245871) is 1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea?
The canonical SMILES for 1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea is COc1ccc(NC(=O)N(C(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea?
The InChIKey is VQKVNRUEQASFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-4-8-18(9-5-16)24-22(27)26(20-12-6-17(2)7-13-20)23(28)25-19-10-14-21(29-3)15-11-19/h4-15H,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea?
1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea has a molecular weight of 389.46 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea is sourced from PubChem (CID 102245871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).