2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide

C26H28N2O5 — CID 69361719

IUPAC2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCCCCOc1cc(OC)ccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C26H28N2O5/c1-4-5-16-33-24-17-18(31-2)14-15-20(24)26(30)27-21-11-7-6-10-19(21)25(29)28-22-12-8-9-13-23(22)32-3/h6-15,17H,4-5,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyLQWNTNXZCNHZMA-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.39
Rot. Bonds10

About 2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide

2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide (PubChem CID 69361719) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
PubChem CID69361719
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCCCCOc1cc(OC)ccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C26H28N2O5/c1-4-5-16-33-24-17-18(31-2)14-15-20(24)26(30)27-21-11-7-6-10-19(21)25(29)28-22-12-8-9-13-23(22)32-3/h6-15,17H,4-5,16H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyLQWNTNXZCNHZMA-UHFFFAOYSA-N
XLogP5.39
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.39
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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Related Compounds

N-(2-butoxyphenyl)-2,4-diethoxybenzamide
CID 17087110
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide
CID 55769477
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682
2-[(2-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4941111
N-[2-(benzylcarbamoyl)phenyl]-2,4-dimethoxybenzamide
CID 3662059
N-methyl-2-[(2-pentoxybenzoyl)amino]benzamide
CID 17354032
N-butan-2-yl-2-[(2-butoxybenzoyl)amino]benzamide
CID 17151251
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide (CID 69361719) is 2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide is CCCCOc1cc(OC)ccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1OC.
What is the InChIKey of 2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is LQWNTNXZCNHZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-4-5-16-33-24-17-18(31-2)14-15-20(24)26(30)27-21-11-7-6-10-19(21)25(29)28-22-12-8-9-13-23(22)32-3/h6-15,17H,4-5,16H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide?
2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 448.52 g/mol, XLogP of 5.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 69361719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).