N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane

C16H27NO — CID 142910544

IUPACN-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane
SMILESCC.CCN(CC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C14H21NO.C2H6/c1-5-15(11-14(2,3)4)13(16)12-9-7-6-8-10-12;1-2/h6-10H,5,11H2,1-4H3;1-2H3
InChIKeyOGYQHDPGVVHFPJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.22
Rot. Bonds3

About N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane

N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane (PubChem CID 142910544) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane
PubChem CID142910544
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane
SMILESCC.CCN(CC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C14H21NO.C2H6/c1-5-15(11-14(2,3)4)13(16)12-9-7-6-8-10-12;1-2/h6-10H,5,11H2,1-4H3;1-2H3
InChIKeyOGYQHDPGVVHFPJ-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 174412487
CID 174412487
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3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
CID 56590718
3-[benzyl(ethyl)carbamoyl]benzoic acid
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N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
N-ethyl-N-[2-(ethylamino)ethyl]benzamide
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CID 102226026

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane?
The IUPAC name of N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane (CID 142910544) is N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane is CC.CCN(CC(C)(C)C)C(=O)c1ccccc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane?
The InChIKey is OGYQHDPGVVHFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C2H6/c1-5-15(11-14(2,3)4)13(16)12-9-7-6-8-10-12;1-2/h6-10H,5,11H2,1-4H3;1-2H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane?
N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane has a molecular weight of 249.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane is sourced from PubChem (CID 142910544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).