N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide

C16H31NO — CID 139316795

IUPACN-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H31NO/c1-7-17-14(18)12-8-10-13(11-9-12)16(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3,(H,17,18)
InChIKeyVQPDZEQPFVOJLB-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.00
Rot. Bonds3

About N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide

N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 139316795) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide
PubChem CID139316795
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide
SMILESCCNC(=O)C1CCC(C(C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H31NO/c1-7-17-14(18)12-8-10-13(11-9-12)16(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3,(H,17,18)
InChIKeyVQPDZEQPFVOJLB-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide
CID 164564557
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CID 71845564
4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane
CID 161174524
4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide
CID 114302699
4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
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N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332
3-[(4-tert-butylcyclohexanecarbonyl)amino]-2-methylpropanoic acid
CID 62674977
4-tert-butyl-N-(2-hydroxy-3-methylbutyl)cyclohexane-1-carboxamide
CID 115744551
4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide
CID 63298695
4-tert-butyl-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 62400506
N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106285887
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide (CID 139316795) is N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide is CCNC(=O)C1CCC(C(C)(C)C(C)(C)C)CC1.
What is the InChIKey of N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is VQPDZEQPFVOJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-7-17-14(18)12-8-10-13(11-9-12)16(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3,(H,17,18).
What are the key properties of N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide?
N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 253.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 139316795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).