N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide

C15H23N3O3 — CID 107000016

IUPACN-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
SMILESCCOCCCC(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C15H23N3O3/c1-2-21-11-5-8-14(19)18-13-7-4-3-6-12(13)15(20)17-10-9-16/h3-4,6-7H,2,5,8-11,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyBWGQPNDDXNXDDX-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.13
Rot. Bonds9

About N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide

N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide (PubChem CID 107000016) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
PubChem CID107000016
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
SMILESCCOCCCC(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C15H23N3O3/c1-2-21-11-5-8-14(19)18-13-7-4-3-6-12(13)15(20)17-10-9-16/h3-4,6-7H,2,5,8-11,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyBWGQPNDDXNXDDX-UHFFFAOYSA-N
XLogP1.13
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.13
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-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
CID 120603511
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
CID 120604009
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
CID 120603849
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-(3-ethoxypropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 17311898
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546
2-[[4-(butanoylamino)benzoyl]amino]-N-(3-ethoxypropyl)benzamide
CID 17312154
N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide
CID 120604283
N-(3-ethoxypropyl)-2-[(2-iodobenzoyl)amino]benzamide
CID 17311583
N-butyl-2-[4-(4-chlorophenoxy)butanoylamino]benzamide
CID 21367326

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide (CID 107000016) is N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide is CCOCCCC(=O)Nc1ccccc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide?
The InChIKey is BWGQPNDDXNXDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-21-11-5-8-14(19)18-13-7-4-3-6-12(13)15(20)17-10-9-16/h3-4,6-7H,2,5,8-11,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide?
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide has a molecular weight of 293.37 g/mol, XLogP of 1.13, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide is sourced from PubChem (CID 107000016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).