N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide

C12H18N4O2 — CID 107000060

IUPACN-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
SMILESCN(C)C(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C12H18N4O2/c1-16(2)12(18)15-10-6-4-3-5-9(10)11(17)14-8-7-13/h3-6H,7-8,13H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyLMHAXNHQCFHHGP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.47
Rot. Bonds4

About N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide

N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide (PubChem CID 107000060) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
PubChem CID107000060
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
SMILESCN(C)C(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C12H18N4O2/c1-16(2)12(18)15-10-6-4-3-5-9(10)11(17)14-8-7-13/h3-6H,7-8,13H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyLMHAXNHQCFHHGP-UHFFFAOYSA-N
XLogP0.47
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
CID 120603511
N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
CID 120603824
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 120604147
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106999665
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546
N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide
CID 107000067
N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120603623
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide
CID 107000041
N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120604222
N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide
CID 120603507

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide?
The IUPAC name of N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide (CID 107000060) is N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide is CN(C)C(=O)Nc1ccccc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide?
The InChIKey is LMHAXNHQCFHHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16(2)12(18)15-10-6-4-3-5-9(10)11(17)14-8-7-13/h3-6H,7-8,13H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide?
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide has a molecular weight of 250.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide is sourced from PubChem (CID 107000060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).