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

C23H29N3O4 — CID 17312166

IUPACN-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C23H29N3O4/c1-4-30-15-7-14-24-23(29)19-8-5-6-9-20(19)26-22(28)17-10-12-18(13-11-17)25-21(27)16(2)3/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyBILKORSBGTXQAM-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.69
Rot. Bonds10

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

N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide (PubChem CID 17312166) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
PubChem CID17312166
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C23H29N3O4/c1-4-30-15-7-14-24-23(29)19-8-5-6-9-20(19)26-22(28)17-10-12-18(13-11-17)25-21(27)16(2)3/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyBILKORSBGTXQAM-UHFFFAOYSA-N
XLogP3.69
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.69
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

2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide
CID 17312154
N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 120603872
N-[4-[[2-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119957
2-benzamido-N-(3-butoxypropyl)benzamide
CID 30748297
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
2-benzamido-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 30548525
4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 7376221
N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide
CID 17311962
2-[(4-acetamidobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 34762470
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
2-(2-methylpropanoylamino)-N-propylbenzamide
CID 31287518
N-(3-methoxypropyl)-2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17148342

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide (CID 17312166) is N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide is CCOCCCNC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide?
The InChIKey is BILKORSBGTXQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-30-15-7-14-24-23(29)19-8-5-6-9-20(19)26-22(28)17-10-12-18(13-11-17)25-21(27)16(2)3/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide?
N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide has a molecular weight of 411.50 g/mol, XLogP of 3.69, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide is sourced from PubChem (CID 17312166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).