ethane;N-methylbenzamide;2-methylpropane

C16H31NO — CID 161462553

IUPACethane;N-methylbenzamide;2-methylpropane
SMILESCC.CC.CC(C)C.CNC(=O)c1ccccc1
InChIInChI=1S/C8H9NO.C4H10.2C2H6/c1-9-8(10)7-5-3-2-4-6-7;1-4(2)3;2*1-2/h2-6H,1H3,(H,9,10);4H,1-3H3;2*1-2H3
InChIKeyWBZVDNFSNSSXEV-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.76
Rot. Bonds1

About ethane;N-methylbenzamide;2-methylpropane

ethane;N-methylbenzamide;2-methylpropane (PubChem CID 161462553) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is ethane;N-methylbenzamide;2-methylpropane.

Molecular Properties

Compound Nameethane;N-methylbenzamide;2-methylpropane
PubChem CID161462553
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Nameethane;N-methylbenzamide;2-methylpropane
SMILESCC.CC.CC(C)C.CNC(=O)c1ccccc1
InChIInChI=1S/C8H9NO.C4H10.2C2H6/c1-9-8(10)7-5-3-2-4-6-7;1-4(2)3;2*1-2/h2-6H,1H3,(H,9,10);4H,1-3H3;2*1-2H3
InChIKeyWBZVDNFSNSSXEV-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methylbenzamide
CID 11954
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
CID 66812751
CID 66812751
N-methylbenzamide;sulfuryl dichloride
CID 158851255
N,4-dimethylbenzamide;ethane;toluene
CID 143677670
methanamine;bis(N-methylbenzamide);1-phenylethanone
CID 161091192
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
ethoxy(methyl)silane;bis(N-methylbenzamide)
CID 161279308
cyclohexanecarboxylic acid;N-methylbenzamide
CID 70533648
ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide
CID 168983006

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylbenzamide;2-methylpropane?
The IUPAC name of ethane;N-methylbenzamide;2-methylpropane (CID 161462553) is ethane;N-methylbenzamide;2-methylpropane.
What is the SMILES notation for ethane;N-methylbenzamide;2-methylpropane?
The canonical SMILES for ethane;N-methylbenzamide;2-methylpropane is CC.CC.CC(C)C.CNC(=O)c1ccccc1.
What is the InChIKey of ethane;N-methylbenzamide;2-methylpropane?
The InChIKey is WBZVDNFSNSSXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C4H10.2C2H6/c1-9-8(10)7-5-3-2-4-6-7;1-4(2)3;2*1-2/h2-6H,1H3,(H,9,10);4H,1-3H3;2*1-2H3.
What are the key properties of ethane;N-methylbenzamide;2-methylpropane?
ethane;N-methylbenzamide;2-methylpropane has a molecular weight of 253.43 g/mol, XLogP of 4.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylbenzamide;2-methylpropane is sourced from PubChem (CID 161462553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).