1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide

C14H27NO2 — CID 51039629

IUPAC1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide
SMILESCOCCNC(=O)C1(C(C)(C)C)CCCCC1
InChIInChI=1S/C14H27NO2/c1-13(2,3)14(8-6-5-7-9-14)12(16)15-10-11-17-4/h5-11H2,1-4H3,(H,15,16)
InChIKeyKSXPFTHAPPHVPK-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.75
Rot. Bonds4

About 1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide

1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide (PubChem CID 51039629) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide
PubChem CID51039629
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide
SMILESCOCCNC(=O)C1(C(C)(C)C)CCCCC1
InChIInChI=1S/C14H27NO2/c1-13(2,3)14(8-6-5-7-9-14)12(16)15-10-11-17-4/h5-11H2,1-4H3,(H,15,16)
InChIKeyKSXPFTHAPPHVPK-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 51357520
2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
CID 64572690
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108970983
1-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 112537817
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-(2-methoxyethyl)acetamide
CID 62522217
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
N-(2-methoxyethyl)-2-(spiro[3.5]nonan-3-ylamino)propanamide
CID 102952314
2-[(1-hydroxycycloheptyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 65123309
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(2-methoxyethyl)acetamide
CID 62518640
1-(4-acetamidophenyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821434
N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 119767246

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide (CID 51039629) is 1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide is COCCNC(=O)C1(C(C)(C)C)CCCCC1.
What is the InChIKey of 1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The InChIKey is KSXPFTHAPPHVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,3)14(8-6-5-7-9-14)12(16)15-10-11-17-4/h5-11H2,1-4H3,(H,15,16).
What are the key properties of 1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide has a molecular weight of 241.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 51039629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).