ethane;N-ethyl-2,2-dimethylpropanamide

C11H27NO — CID 142466715

IUPACethane;N-ethyl-2,2-dimethylpropanamide
SMILESCC.CC.CCNC(=O)C(C)(C)C
InChIInChI=1S/C7H15NO.2C2H6/c1-5-8-6(9)7(2,3)4;2*1-2/h5H2,1-4H3,(H,8,9);2*1-2H3
InChIKeyHLQJWIMCIGJEBQ-UHFFFAOYSA-N
MW189.34 g/mol
LogP3.22
Rot. Bonds1

About ethane;N-ethyl-2,2-dimethylpropanamide

ethane;N-ethyl-2,2-dimethylpropanamide (PubChem CID 142466715) has the molecular formula C11H27NO and a molecular weight of 189.34 g/mol. Its IUPAC name is ethane;N-ethyl-2,2-dimethylpropanamide.

Molecular Properties

Compound Nameethane;N-ethyl-2,2-dimethylpropanamide
PubChem CID142466715
Molecular FormulaC11H27NO
Molecular Weight189.34 g/mol
Exact Mass189.21
IUPAC Nameethane;N-ethyl-2,2-dimethylpropanamide
SMILESCC.CC.CCNC(=O)C(C)(C)C
InChIInChI=1S/C7H15NO.2C2H6/c1-5-8-6(9)7(2,3)4;2*1-2/h5H2,1-4H3,(H,8,9);2*1-2H3
InChIKeyHLQJWIMCIGJEBQ-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 581108
N-(aminomethyl)-2,2-dimethylpropanamide
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CID 146609938
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
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N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
1,3-diethylurea;ethane
CID 142885504
CID 158035989
CID 158035989
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
N,2-diethyl-2-silylbutanamide
CID 175828478
N-ethyl-2,2-dimethylheptanamide
CID 168939290
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2,2-dimethylpropanamide?
The IUPAC name of ethane;N-ethyl-2,2-dimethylpropanamide (CID 142466715) is ethane;N-ethyl-2,2-dimethylpropanamide.
What is the SMILES notation for ethane;N-ethyl-2,2-dimethylpropanamide?
The canonical SMILES for ethane;N-ethyl-2,2-dimethylpropanamide is CC.CC.CCNC(=O)C(C)(C)C.
What is the InChIKey of ethane;N-ethyl-2,2-dimethylpropanamide?
The InChIKey is HLQJWIMCIGJEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.2C2H6/c1-5-8-6(9)7(2,3)4;2*1-2/h5H2,1-4H3,(H,8,9);2*1-2H3.
What are the key properties of ethane;N-ethyl-2,2-dimethylpropanamide?
ethane;N-ethyl-2,2-dimethylpropanamide has a molecular weight of 189.34 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2,2-dimethylpropanamide is sourced from PubChem (CID 142466715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).