N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide

C16H24N4O3 — CID 120603511

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
SMILESCN(C)C(=O)CCCC(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C16H24N4O3/c1-20(2)15(22)9-5-8-14(21)19-13-7-4-3-6-12(13)16(23)18-11-10-17/h3-4,6-7H,5,8-11,17H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyJHUKPOLMPKUGTK-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.57
Rot. Bonds8

About N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide

N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide (PubChem CID 120603511) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
PubChem CID120603511
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
SMILESCN(C)C(=O)CCCC(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C16H24N4O3/c1-20(2)15(22)9-5-8-14(21)19-13-7-4-3-6-12(13)16(23)18-11-10-17/h3-4,6-7H,5,8-11,17H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyJHUKPOLMPKUGTK-UHFFFAOYSA-N
XLogP0.57
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-(2-aminoethyl)-2-(4-benzamidobutanoylamino)benzamide
CID 120604009
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
CID 120603824
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546
N-(2-aminoethyl)-2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604396
N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride
CID 120604204
N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
CID 120603849

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide (CID 120603511) is N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide is CN(C)C(=O)CCCC(=O)Nc1ccccc1C(=O)NCCN.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide?
The InChIKey is JHUKPOLMPKUGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-20(2)15(22)9-5-8-14(21)19-13-7-4-3-6-12(13)16(23)18-11-10-17/h3-4,6-7H,5,8-11,17H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide?
N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide has a molecular weight of 320.39 g/mol, XLogP of 0.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide is sourced from PubChem (CID 120603511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).