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

C30H30N4O4 — CID 1039714

IUPAC1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea
SMILESCOc1cc(-c2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)ccc1NC(=O)Nc1ccccc1C
InChIInChI=1S/C30H30N4O4/c1-19-9-5-7-11-23(19)31-29(35)33-25-15-13-21(17-27(25)37-3)22-14-16-26(28(18-22)38-4)34-30(36)32-24-12-8-6-10-20(24)2/h5-18H,1-4H3,(H2,31,33,35)(H2,32,34,36)
InChIKeyVRVIWQZBYUCWFK-UHFFFAOYSA-N
MW510.59 g/mol
LogP7.28
Rot. Bonds7

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

1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea (PubChem CID 1039714) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea
PubChem CID1039714
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC Name1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea
SMILESCOc1cc(-c2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)ccc1NC(=O)Nc1ccccc1C
InChIInChI=1S/C30H30N4O4/c1-19-9-5-7-11-23(19)31-29(35)33-25-15-13-21(17-27(25)37-3)22-14-16-26(28(18-22)38-4)34-30(36)32-24-12-8-6-10-20(24)2/h5-18H,1-4H3,(H2,31,33,35)(H2,32,34,36)
InChIKeyVRVIWQZBYUCWFK-UHFFFAOYSA-N
XLogP7.28
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 57.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea (CID 1039714) is 1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea is COc1cc(-c2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)ccc1NC(=O)Nc1ccccc1C.
What is the InChIKey of 1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea?
The InChIKey is VRVIWQZBYUCWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-19-9-5-7-11-23(19)31-29(35)33-25-15-13-21(17-27(25)37-3)22-14-16-26(28(18-22)38-4)34-30(36)32-24-12-8-6-10-20(24)2/h5-18H,1-4H3,(H2,31,33,35)(H2,32,34,36).
What are the key properties of 1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea?
1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea has a molecular weight of 510.59 g/mol, XLogP of 7.28, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]phenyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 1039714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).