3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide

C26H28N2O4 — CID 55674446

IUPAC3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H28N2O4/c1-4-5-15-32-24-14-13-21(31-3)17-23(24)28-26(30)20-12-11-18(2)22(16-20)27-25(29)19-9-7-6-8-10-19/h6-14,16-17H,4-5,15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyDNZKLWNQTDHKLI-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.69
Rot. Bonds9

About 3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide

3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide (PubChem CID 55674446) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide
PubChem CID55674446
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H28N2O4/c1-4-5-15-32-24-14-13-21(31-3)17-23(24)28-26(30)20-12-11-18(2)22(16-20)27-25(29)19-9-7-6-8-10-19/h6-14,16-17H,4-5,15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyDNZKLWNQTDHKLI-UHFFFAOYSA-N
XLogP5.69
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119715062
4-(aminomethyl)-N-(2-butoxy-5-methoxyphenyl)benzamide;hydrochloride
CID 119284799
3-benzamido-N-hydroxy-4-propoxybenzamide
CID 127046660
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315
N-(2-butoxy-5-methoxyphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55675453
tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 35363555
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
3-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056868
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide (CID 55674446) is 3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide is CCCCOc1ccc(OC)cc1NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide?
The InChIKey is DNZKLWNQTDHKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-4-5-15-32-24-14-13-21(31-3)17-23(24)28-26(30)20-12-11-18(2)22(16-20)27-25(29)19-9-7-6-8-10-19/h6-14,16-17H,4-5,15H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide?
3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide has a molecular weight of 432.52 g/mol, XLogP of 5.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(2-butoxy-5-methoxyphenyl)-4-methylbenzamide is sourced from PubChem (CID 55674446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).