ethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide

C15H26N2O — CID 143162679

IUPACethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide
SMILESCC.CC.CC/N=C(\C)c1ccccc1C(N)=O
InChIInChI=1S/C11H14N2O.2C2H6/c1-3-13-8(2)9-6-4-5-7-10(9)11(12)14;2*1-2/h4-7H,3H2,1-2H3,(H2,12,14);2*1-2H3/b13-8+;;
InChIKeyAUUJKWKVLCKFKC-LIYVDSPJSA-N
MW250.39 g/mol
LogP3.67
Rot. Bonds3

About ethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide

ethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide (PubChem CID 143162679) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is ethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide.

Molecular Properties

Compound Nameethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide
PubChem CID143162679
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Nameethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide
SMILESCC.CC.CC/N=C(\C)c1ccccc1C(N)=O
InChIInChI=1S/C11H14N2O.2C2H6/c1-3-13-8(2)9-6-4-5-7-10(9)11(12)14;2*1-2/h4-7H,3H2,1-2H3,(H2,12,14);2*1-2H3/b13-8+;;
InChIKeyAUUJKWKVLCKFKC-LIYVDSPJSA-N
XLogP3.67
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(N'-propylcarbamimidoyl)benzamide
CID 142215116
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
ethane;hexane;2-hydroxybenzamide
CID 143703157
2-N-acetylbenzene-1,2-dicarboxamide
CID 19607558
2-carbamoylbenzoate
CID 3373391
CID 87606351
CID 87606351
butanal;2-carbamoylbenzoic acid
CID 174303013
calcium bis(2-carbamoylbenzoate)
CID 158845226
benzene-1,2-dicarboxamide;piperazine
CID 159137360
2-butylbenzamide
CID 15468173
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346

Frequently Asked Questions

What is the IUPAC name of ethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide?
The IUPAC name of ethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide (CID 143162679) is ethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide.
What is the SMILES notation for ethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide?
The canonical SMILES for ethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide is CC.CC.CC/N=C(\C)c1ccccc1C(N)=O.
What is the InChIKey of ethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide?
The InChIKey is AUUJKWKVLCKFKC-LIYVDSPJSA-N. The full InChI is InChI=1S/C11H14N2O.2C2H6/c1-3-13-8(2)9-6-4-5-7-10(9)11(12)14;2*1-2/h4-7H,3H2,1-2H3,(H2,12,14);2*1-2H3/b13-8+;;.
What are the key properties of ethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide?
ethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide has a molecular weight of 250.39 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(N-ethyl-C-methylcarbonimidoyl)benzamide is sourced from PubChem (CID 143162679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).