N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide

C23H46N2O2 — CID 139580700

IUPACN-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide
SMILESCCNC(=O)C1CC(C)CCC1C(C)C.CNC(=O)C(C)(C(C)C)C(C)C
InChIInChI=1S/C13H25NO.C10H21NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3;1-7(2)10(5,8(3)4)9(12)11-6/h9-12H,5-8H2,1-4H3,(H,14,15);7-8H,1-6H3,(H,11,12)
InChIKeyWMYLIXARDCZGJK-UHFFFAOYSA-N
MW382.63 g/mol
LogP4.88
Rot. Bonds6

About N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide

N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide (PubChem CID 139580700) has the molecular formula C23H46N2O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide
PubChem CID139580700
Molecular FormulaC23H46N2O2
Molecular Weight382.63 g/mol
Exact Mass382.36
IUPAC NameN-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide
SMILESCCNC(=O)C1CC(C)CCC1C(C)C.CNC(=O)C(C)(C(C)C)C(C)C
InChIInChI=1S/C13H25NO.C10H21NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3;1-7(2)10(5,8(3)4)9(12)11-6/h9-12H,5-8H2,1-4H3,(H,14,15);7-8H,1-6H3,(H,11,12)
InChIKeyWMYLIXARDCZGJK-UHFFFAOYSA-N
XLogP4.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide with MolForge

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Related Compounds

trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
(1R,2S,5R)-N,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 58330084
N-decyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 154148941
ethanol;N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile;sulfurochloridic acid
CID 159773161
tert-butyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]butanoate
CID 67262844
N-[2-[(2-aminoacetyl)amino]ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 140775965
tert-butyl N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]carbamate
CID 129070915
ethyl (2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 142760008
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
N-(6-aminohexyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 140775988

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide?
The IUPAC name of N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide (CID 139580700) is N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide is CCNC(=O)C1CC(C)CCC1C(C)C.CNC(=O)C(C)(C(C)C)C(C)C.
What is the InChIKey of N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide?
The InChIKey is WMYLIXARDCZGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C10H21NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3;1-7(2)10(5,8(3)4)9(12)11-6/h9-12H,5-8H2,1-4H3,(H,14,15);7-8H,1-6H3,(H,11,12).
What are the key properties of N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide?
N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide has a molecular weight of 382.63 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;N,2,3-trimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 139580700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).