N-(2-butoxyphenyl)-2,4-diethoxybenzamide

C21H27NO4 — CID 17087110

IUPACN-(2-butoxyphenyl)-2,4-diethoxybenzamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(OCC)cc1OCC
InChIInChI=1S/C21H27NO4/c1-4-7-14-26-19-11-9-8-10-18(19)22-21(23)17-13-12-16(24-5-2)15-20(17)25-6-3/h8-13,15H,4-7,14H2,1-3H3,(H,22,23)
InChIKeyLMVFPWBQSVMFLG-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.92
Rot. Bonds10

About N-(2-butoxyphenyl)-2,4-diethoxybenzamide

N-(2-butoxyphenyl)-2,4-diethoxybenzamide (PubChem CID 17087110) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-2,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-2,4-diethoxybenzamide
PubChem CID17087110
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-(2-butoxyphenyl)-2,4-diethoxybenzamide
SMILESCCCCOc1ccccc1NC(=O)c1ccc(OCC)cc1OCC
InChIInChI=1S/C21H27NO4/c1-4-7-14-26-19-11-9-8-10-18(19)22-21(23)17-13-12-16(24-5-2)15-20(17)25-6-3/h8-13,15H,4-7,14H2,1-3H3,(H,22,23)
InChIKeyLMVFPWBQSVMFLG-UHFFFAOYSA-N
XLogP4.92
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
2-butoxy-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 69361719
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
2,4-diethoxy-N-(4-heptoxyphenyl)benzamide
CID 17340675
N-(2-ethoxyphenyl)-4-heptoxybenzamide
CID 4950665
2,4-diethoxy-N-(4-hexoxyphenyl)benzamide
CID 17340669
1,3-bis(2-butoxyphenyl)urea
CID 17170447
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
N-(2-ethoxyphenyl)-2-iodobenzamide
CID 996130

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-2,4-diethoxybenzamide?
The IUPAC name of N-(2-butoxyphenyl)-2,4-diethoxybenzamide (CID 17087110) is N-(2-butoxyphenyl)-2,4-diethoxybenzamide.
What is the SMILES notation for N-(2-butoxyphenyl)-2,4-diethoxybenzamide?
The canonical SMILES for N-(2-butoxyphenyl)-2,4-diethoxybenzamide is CCCCOc1ccccc1NC(=O)c1ccc(OCC)cc1OCC.
What is the InChIKey of N-(2-butoxyphenyl)-2,4-diethoxybenzamide?
The InChIKey is LMVFPWBQSVMFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-7-14-26-19-11-9-8-10-18(19)22-21(23)17-13-12-16(24-5-2)15-20(17)25-6-3/h8-13,15H,4-7,14H2,1-3H3,(H,22,23).
What are the key properties of N-(2-butoxyphenyl)-2,4-diethoxybenzamide?
N-(2-butoxyphenyl)-2,4-diethoxybenzamide has a molecular weight of 357.45 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-2,4-diethoxybenzamide is sourced from PubChem (CID 17087110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).