3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide

C32H26N4O4 — CID 1105616

IUPAC3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)c5cccc(OC)c5)cc4)nc3)cc2)c1
InChIInChI=1S/C32H26N4O4/c1-39-28-7-3-5-23(17-28)31(37)35-26-13-9-21(10-14-26)25-19-33-30(34-20-25)22-11-15-27(16-12-22)36-32(38)24-6-4-8-29(18-24)40-2/h3-20H,1-2H3,(H,35,37)(H,36,38)
InChIKeyUXIKTXZQJUBMOU-UHFFFAOYSA-N
MW530.58 g/mol
LogP6.33
Rot. Bonds8

About 3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide

3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide (PubChem CID 1105616) has the molecular formula C32H26N4O4 and a molecular weight of 530.58 g/mol. Its IUPAC name is 3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide
PubChem CID1105616
Molecular FormulaC32H26N4O4
Molecular Weight530.58 g/mol
Exact Mass530.20
IUPAC Name3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)c5cccc(OC)c5)cc4)nc3)cc2)c1
InChIInChI=1S/C32H26N4O4/c1-39-28-7-3-5-23(17-28)31(37)35-26-13-9-21(10-14-26)25-19-33-30(34-20-25)22-11-15-27(16-12-22)36-32(38)24-6-4-8-29(18-24)40-2/h3-20H,1-2H3,(H,35,37)(H,36,38)
InChIKeyUXIKTXZQJUBMOU-UHFFFAOYSA-N
XLogP6.33
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide (CID 1105616) is 3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(-c3cnc(-c4ccc(NC(=O)c5cccc(OC)c5)cc4)nc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide?
The InChIKey is UXIKTXZQJUBMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O4/c1-39-28-7-3-5-23(17-28)31(37)35-26-13-9-21(10-14-26)25-19-33-30(34-20-25)22-11-15-27(16-12-22)36-32(38)24-6-4-8-29(18-24)40-2/h3-20H,1-2H3,(H,35,37)(H,36,38).
What are the key properties of 3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide?
3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide has a molecular weight of 530.58 g/mol, XLogP of 6.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[2-[4-[(3-methoxybenzoyl)amino]phenyl]pyrimidin-5-yl]phenyl]benzamide is sourced from PubChem (CID 1105616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).