N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide

C23H29N3O5 — CID 17226286

IUPACN-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)CCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C23H29N3O5/c1-3-31-15-7-13-24-23(29)19-10-4-5-11-20(19)26-21(27)12-14-25-22(28)17-8-6-9-18(16-17)30-2/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)
InChIKeyDJXMBZMYJQRFPD-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.61
Rot. Bonds12

About N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide

N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide (PubChem CID 17226286) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
PubChem CID17226286
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)CCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C23H29N3O5/c1-3-31-15-7-13-24-23(29)19-10-4-5-11-20(19)26-21(27)12-14-25-22(28)17-8-6-9-18(16-17)30-2/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)
InChIKeyDJXMBZMYJQRFPD-UHFFFAOYSA-N
XLogP2.61
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226272
2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226172
N-(3-ethoxypropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 17311898
2-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 17148501
N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55577306
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 17311661
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
CID 17191696
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide
CID 17312154
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
N-[2-(3-ethoxypropylsulfamoyl)ethyl]-3-methoxybenzamide
CID 7618000
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide (CID 17226286) is N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide is CCOCCCNC(=O)c1ccccc1NC(=O)CCNC(=O)c1cccc(OC)c1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide?
The InChIKey is DJXMBZMYJQRFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-3-31-15-7-13-24-23(29)19-10-4-5-11-20(19)26-21(27)12-14-25-22(28)17-8-6-9-18(16-17)30-2/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,24,29)(H,25,28)(H,26,27).
What are the key properties of N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide?
N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide has a molecular weight of 427.50 g/mol, XLogP of 2.61, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide is sourced from PubChem (CID 17226286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).