N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide

C24H32N2O5 — CID 17256689

IUPACN-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1
InChIInChI=1S/C24H32N2O5/c1-5-9-14-25-24(28)18-12-10-11-13-19(18)26-23(27)17-15-20(29-6-2)22(31-8-4)21(16-17)30-7-3/h10-13,15-16H,5-9,14H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyRKNVAWMWTZJDQX-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.66
Rot. Bonds12

About N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide

N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide (PubChem CID 17256689) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
PubChem CID17256689
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC NameN-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1
InChIInChI=1S/C24H32N2O5/c1-5-9-14-25-24(28)18-12-10-11-13-19(18)26-23(27)17-15-20(29-6-2)22(31-8-4)21(16-17)30-7-3/h10-13,15-16H,5-9,14H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyRKNVAWMWTZJDQX-UHFFFAOYSA-N
XLogP4.66
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.66
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

2-benzamido-N-(3-butoxypropyl)benzamide
CID 30748297
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17149402
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
N-[2-(butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 17149351
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17149395
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
CID 120603887
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551
3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide (CID 17256689) is N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide is CCCCNC(=O)c1ccccc1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1.
What is the InChIKey of N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide?
The InChIKey is RKNVAWMWTZJDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-5-9-14-25-24(28)18-12-10-11-13-19(18)26-23(27)17-15-20(29-6-2)22(31-8-4)21(16-17)30-7-3/h10-13,15-16H,5-9,14H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide?
N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide has a molecular weight of 428.53 g/mol, XLogP of 4.66, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 17256689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).