1,3-bis(4-methoxyphenyl)urea

C30H32N4O6 — CID 139045428

IUPAC1,3-bis(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1.COc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/2C15H16N2O3/c2*1-19-13-7-3-11(4-8-13)16-15(18)17-12-5-9-14(20-2)10-6-12/h2*3-10H,1-2H3,(H2,16,17,18)
InChIKeyBJZKUPFAWGEKTF-UHFFFAOYSA-N
MW544.61 g/mol
LogP6.70
Rot. Bonds8

About 1,3-bis(4-methoxyphenyl)urea

1,3-bis(4-methoxyphenyl)urea (PubChem CID 139045428) has the molecular formula C30H32N4O6 and a molecular weight of 544.61 g/mol. Its IUPAC name is 1,3-bis(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1,3-bis(4-methoxyphenyl)urea
PubChem CID139045428
Molecular FormulaC30H32N4O6
Molecular Weight544.61 g/mol
Exact Mass544.23
IUPAC Name1,3-bis(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1.COc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/2C15H16N2O3/c2*1-19-13-7-3-11(4-8-13)16-15(18)17-12-5-9-14(20-2)10-6-12/h2*3-10H,1-2H3,(H2,16,17,18)
InChIKeyBJZKUPFAWGEKTF-UHFFFAOYSA-N
XLogP6.70
TPSA119.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.61
LogP ≤ 56.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea
CID 16659630
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea
CID 102497884
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886286
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methoxyphenyl)urea?
The IUPAC name of 1,3-bis(4-methoxyphenyl)urea (CID 139045428) is 1,3-bis(4-methoxyphenyl)urea.
What is the SMILES notation for 1,3-bis(4-methoxyphenyl)urea?
The canonical SMILES for 1,3-bis(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1.COc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of 1,3-bis(4-methoxyphenyl)urea?
The InChIKey is BJZKUPFAWGEKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H16N2O3/c2*1-19-13-7-3-11(4-8-13)16-15(18)17-12-5-9-14(20-2)10-6-12/h2*3-10H,1-2H3,(H2,16,17,18).
What are the key properties of 1,3-bis(4-methoxyphenyl)urea?
1,3-bis(4-methoxyphenyl)urea has a molecular weight of 544.61 g/mol, XLogP of 6.70, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methoxyphenyl)urea is sourced from PubChem (CID 139045428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).