N-(2-aminoethyl)benzamide;ethane

C13H24N2O — CID 143976252

IUPACN-(2-aminoethyl)benzamide;ethane
SMILESCC.CC.NCCNC(=O)c1ccccc1
InChIInChI=1S/C9H12N2O.2C2H6/c10-6-7-11-9(12)8-4-2-1-3-5-8;2*1-2/h1-5H,6-7,10H2,(H,11,12);2*1-2H3
InChIKeyVGWISMPQNVRSPE-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.43
Rot. Bonds3

About N-(2-aminoethyl)benzamide;ethane

N-(2-aminoethyl)benzamide;ethane (PubChem CID 143976252) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(2-aminoethyl)benzamide;ethane.

Molecular Properties

Compound NameN-(2-aminoethyl)benzamide;ethane
PubChem CID143976252
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(2-aminoethyl)benzamide;ethane
SMILESCC.CC.NCCNC(=O)c1ccccc1
InChIInChI=1S/C9H12N2O.2C2H6/c10-6-7-11-9(12)8-4-2-1-3-5-8;2*1-2/h1-5H,6-7,10H2,(H,11,12);2*1-2H3
InChIKeyVGWISMPQNVRSPE-UHFFFAOYSA-N
XLogP2.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
N-[2-(2-aminoethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119384286
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide
CID 67918850
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
N-[4-[3-aminopropyl(benzoyl)amino]butyl]benzamide
CID 162862869
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
N-ethylbenzamide
CID 160772566

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)benzamide;ethane?
The IUPAC name of N-(2-aminoethyl)benzamide;ethane (CID 143976252) is N-(2-aminoethyl)benzamide;ethane.
What is the SMILES notation for N-(2-aminoethyl)benzamide;ethane?
The canonical SMILES for N-(2-aminoethyl)benzamide;ethane is CC.CC.NCCNC(=O)c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)benzamide;ethane?
The InChIKey is VGWISMPQNVRSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.2C2H6/c10-6-7-11-9(12)8-4-2-1-3-5-8;2*1-2/h1-5H,6-7,10H2,(H,11,12);2*1-2H3.
What are the key properties of N-(2-aminoethyl)benzamide;ethane?
N-(2-aminoethyl)benzamide;ethane has a molecular weight of 224.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)benzamide;ethane is sourced from PubChem (CID 143976252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).