N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide

C15H22N4O3 — CID 120603546

IUPACN-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
SMILESCCCC(=O)NCC(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C15H22N4O3/c1-2-5-13(20)18-10-14(21)19-12-7-4-3-6-11(12)15(22)17-9-8-16/h3-4,6-7H,2,5,8-10,16H2,1H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyUTRVEVIYYVXGMX-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.23
Rot. Bonds8

About N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide

N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide (PubChem CID 120603546) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
PubChem CID120603546
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
SMILESCCCC(=O)NCC(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C15H22N4O3/c1-2-5-13(20)18-10-14(21)19-12-7-4-3-6-11(12)15(22)17-9-8-16/h3-4,6-7H,2,5,8-10,16H2,1H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyUTRVEVIYYVXGMX-UHFFFAOYSA-N
XLogP0.23
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride
CID 120604302
N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
CID 120603511
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
CID 120604009
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-(2-aminoethyl)-2-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604472
N-(2-aminoethyl)-2-[3-(4-propoxyphenyl)propanoylamino]benzamide
CID 120604283
N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide
CID 120603507

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide (CID 120603546) is N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide is CCCC(=O)NCC(=O)Nc1ccccc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide?
The InChIKey is UTRVEVIYYVXGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-2-5-13(20)18-10-14(21)19-12-7-4-3-6-11(12)15(22)17-9-8-16/h3-4,6-7H,2,5,8-10,16H2,1H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide?
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide has a molecular weight of 306.37 g/mol, XLogP of 0.23, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide is sourced from PubChem (CID 120603546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).