butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide

C17H39NO2 — CID 145332702

IUPACbutane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide
SMILESCC.CC.CCCC.CONC(=O)C1CCC(C)CC1
InChIInChI=1S/C9H17NO2.C4H10.2C2H6/c1-7-3-5-8(6-4-7)9(11)10-12-2;1-3-4-2;2*1-2/h7-8H,3-6H2,1-2H3,(H,10,11);3-4H2,1-2H3;2*1-2H3
InChIKeyCOTCRZYKMGSWMS-UHFFFAOYSA-N
MW289.50 g/mol
LogP5.35
Rot. Bonds3

About butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide

butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide (PubChem CID 145332702) has the molecular formula C17H39NO2 and a molecular weight of 289.50 g/mol. Its IUPAC name is butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namebutane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide
PubChem CID145332702
Molecular FormulaC17H39NO2
Molecular Weight289.50 g/mol
Exact Mass289.30
IUPAC Namebutane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide
SMILESCC.CC.CCCC.CONC(=O)C1CCC(C)CC1
InChIInChI=1S/C9H17NO2.C4H10.2C2H6/c1-7-3-5-8(6-4-7)9(11)10-12-2;1-3-4-2;2*1-2/h7-8H,3-6H2,1-2H3,(H,10,11);3-4H2,1-2H3;2*1-2H3
InChIKeyCOTCRZYKMGSWMS-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxycyclopentanecarboxamide
CID 59130435
4-methyl-N-(2-methylpropoxy)cyclohexane-1-carboxamide
CID 115409857
4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide
CID 81339919
N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
CID 145422265
hydroxymethyl 4-methylcyclohexane-1-carboxylate
CID 137371727
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
methyl 4-hydroxy-2-methyl-3-(4-methylcyclohexyl)but-2-enoate
CID 57219771
methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
CID 79005645
N-heptan-4-yl-4-methylcyclohexane-1-carboxamide
CID 143046395
4-methyl-N-phenylmethoxycyclohexane-1-carboxamide
CID 79005762
3-methoxy-4-[(4-methylcyclohexanecarbonyl)amino]butanoic acid
CID 103153013
ethane;ethyl 3-[4-(4-methylcyclohexyl)cyclohexyl]-3-oxopropanoate
CID 143189050

Frequently Asked Questions

What is the IUPAC name of butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide?
The IUPAC name of butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide (CID 145332702) is butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide is CC.CC.CCCC.CONC(=O)C1CCC(C)CC1.
What is the InChIKey of butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide?
The InChIKey is COTCRZYKMGSWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C4H10.2C2H6/c1-7-3-5-8(6-4-7)9(11)10-12-2;1-3-4-2;2*1-2/h7-8H,3-6H2,1-2H3,(H,10,11);3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide?
butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide has a molecular weight of 289.50 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 145332702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).