2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide

C14H22N4O2 — CID 83109235

IUPAC2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
SMILESCN(C)C(=O)NCCNC(=O)c1ccccc1CCN
InChIInChI=1S/C14H22N4O2/c1-18(2)14(20)17-10-9-16-13(19)12-6-4-3-5-11(12)7-8-15/h3-6H,7-10,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyIFXOLVRAZNSXEE-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.19
Rot. Bonds6

About 2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide

2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide (PubChem CID 83109235) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
PubChem CID83109235
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
SMILESCN(C)C(=O)NCCNC(=O)c1ccccc1CCN
InChIInChI=1S/C14H22N4O2/c1-18(2)14(20)17-10-9-16-13(19)12-6-4-3-5-11(12)7-8-15/h3-6H,7-10,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyIFXOLVRAZNSXEE-UHFFFAOYSA-N
XLogP0.19
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide 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

4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107836135
N-[2-(dimethylcarbamoylamino)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 83114769
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293967
2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362936
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 79106240
2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 108573425
N-[2-(dimethylamino)ethyl]-2-(2-phenylethyl)benzamide
CID 71396924
2-(2-aminoethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106396658
2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 106416688
2-(2-aminoethyl)-N-[(5-ethylthiophen-2-yl)methyl]benzamide
CID 106011853
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide (CID 83109235) is 2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide is CN(C)C(=O)NCCNC(=O)c1ccccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide?
The InChIKey is IFXOLVRAZNSXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-18(2)14(20)17-10-9-16-13(19)12-6-4-3-5-11(12)7-8-15/h3-6H,7-10,15H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide?
2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide has a molecular weight of 278.36 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(dimethylcarbamoylamino)ethyl]benzamide is sourced from PubChem (CID 83109235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).