N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide

C22H22N4O3 — CID 58205143

IUPACN-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide
SMILESCCCCOc1cc(NC(=O)c2ccccc2)nc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C22H22N4O3/c1-2-3-14-29-19-15-18(23-20(27)16-10-6-4-7-11-16)24-22(25-19)26-21(28)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H2,23,24,25,26,27,28)
InChIKeyXHANWNFQVYRGJS-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.16
Rot. Bonds8

About N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide

N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide (PubChem CID 58205143) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide
PubChem CID58205143
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide
SMILESCCCCOc1cc(NC(=O)c2ccccc2)nc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C22H22N4O3/c1-2-3-14-29-19-15-18(23-20(27)16-10-6-4-7-11-16)24-22(25-19)26-21(28)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H2,23,24,25,26,27,28)
InChIKeyXHANWNFQVYRGJS-UHFFFAOYSA-N
XLogP4.16
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide?
The IUPAC name of N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide (CID 58205143) is N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide?
The canonical SMILES for N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide is CCCCOc1cc(NC(=O)c2ccccc2)nc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide?
The InChIKey is XHANWNFQVYRGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-3-14-29-19-15-18(23-20(27)16-10-6-4-7-11-16)24-22(25-19)26-21(28)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H2,23,24,25,26,27,28).
What are the key properties of N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide?
N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide has a molecular weight of 390.44 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamido-6-butoxypyrimidin-4-yl)benzamide is sourced from PubChem (CID 58205143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).