ethane;3-(methylamino)benzamide

C12H22N2O — CID 142071023

IUPACethane;3-(methylamino)benzamide
SMILESCC.CC.CNc1cccc(C(N)=O)c1
InChIInChI=1S/C8H10N2O.2C2H6/c1-10-7-4-2-3-6(5-7)8(9)11;2*1-2/h2-5,10H,1H3,(H2,9,11);2*1-2H3
InChIKeyDYKTUJZWGJRESS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.88
Rot. Bonds2

About ethane;3-(methylamino)benzamide

ethane;3-(methylamino)benzamide (PubChem CID 142071023) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;3-(methylamino)benzamide.

Molecular Properties

Compound Nameethane;3-(methylamino)benzamide
PubChem CID142071023
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameethane;3-(methylamino)benzamide
SMILESCC.CC.CNc1cccc(C(N)=O)c1
InChIInChI=1S/C8H10N2O.2C2H6/c1-10-7-4-2-3-6(5-7)8(9)11;2*1-2/h2-5,10H,1H3,(H2,9,11);2*1-2H3
InChIKeyDYKTUJZWGJRESS-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)benzamide
CID 18727714
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
[3-(methylamino)phenyl]-phenylmethanone
CID 19894083
3-hydrazinylbenzamide;hydrochloride
CID 90487444
[3-(methylamino)phenyl]urea
CID 23558981
3-(methanesulfinamido)benzamide
CID 169217991
3-(cyanoamino)benzamide
CID 19926828
3-(sulfamoylamino)benzamide
CID 57051238
3-(trifluoromethylamino)benzamide
CID 150882306
methyl 3-[3-(methylamino)phenyl]-3-oxopropanoate
CID 54055806
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696

Frequently Asked Questions

What is the IUPAC name of ethane;3-(methylamino)benzamide?
The IUPAC name of ethane;3-(methylamino)benzamide (CID 142071023) is ethane;3-(methylamino)benzamide.
What is the SMILES notation for ethane;3-(methylamino)benzamide?
The canonical SMILES for ethane;3-(methylamino)benzamide is CC.CC.CNc1cccc(C(N)=O)c1.
What is the InChIKey of ethane;3-(methylamino)benzamide?
The InChIKey is DYKTUJZWGJRESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.2C2H6/c1-10-7-4-2-3-6(5-7)8(9)11;2*1-2/h2-5,10H,1H3,(H2,9,11);2*1-2H3.
What are the key properties of ethane;3-(methylamino)benzamide?
ethane;3-(methylamino)benzamide has a molecular weight of 210.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(methylamino)benzamide is sourced from PubChem (CID 142071023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).