2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide

C23H29N3O4 — CID 17312154

IUPAC2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCCCOCC)cc1
InChIInChI=1S/C23H29N3O4/c1-3-8-21(27)25-18-13-11-17(12-14-18)22(28)26-20-10-6-5-9-19(20)23(29)24-15-7-16-30-4-2/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyGAKZHVBWSFEEGT-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.83
Rot. Bonds11

About 2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide

2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide (PubChem CID 17312154) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide
PubChem CID17312154
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCCCOCC)cc1
InChIInChI=1S/C23H29N3O4/c1-3-8-21(27)25-18-13-11-17(12-14-18)22(28)26-20-10-6-5-9-19(20)23(29)24-15-7-16-30-4-2/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyGAKZHVBWSFEEGT-UHFFFAOYSA-N
XLogP3.83
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312166
2-benzamido-N-(3-butoxypropyl)benzamide
CID 30748297
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
N-[4-[[2-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119957
N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226286
2-[(4-acetamidobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 34762470
N-(3-ethoxypropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 17311898
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
2-[[4-(hexanoylamino)benzoyl]amino]benzoic acid
CID 3756720
N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 17256689
N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide
CID 17311962

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide (CID 17312154) is 2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide is CCCC(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)NCCCOCC)cc1.
What is the InChIKey of 2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide?
The InChIKey is GAKZHVBWSFEEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-8-21(27)25-18-13-11-17(12-14-18)22(28)26-20-10-6-5-9-19(20)23(29)24-15-7-16-30-4-2/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of 2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide?
2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide has a molecular weight of 411.50 g/mol, XLogP of 3.83, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 17312154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).