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

C18H27NO2 — CID 11846882

IUPAC2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCCCC1C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-18(2,3)14-10-6-5-9-13(14)17(20)19-15-11-7-8-12-16(15)21-4/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,19,20)
InChIKeyNTXDQWNNNDKPTF-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.49
Rot. Bonds3

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

2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 11846882) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID11846882
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCCCC1C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-18(2,3)14-10-6-5-9-13(14)17(20)19-15-11-7-8-12-16(15)21-4/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,19,20)
InChIKeyNTXDQWNNNDKPTF-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6940396
trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982063
N-[(2-methoxyphenyl)carbamothioyl]cyclohexanecarboxamide
CID 804772
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
(1S,2S,3S,4R)-3-[(2-methoxyphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 40636116
(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
(1R,2R,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98052094
(1R,2S,4R,5R)-N-(2-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98052092
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide (CID 11846882) is 2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccccc1NC(=O)C1CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is NTXDQWNNNDKPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)14-10-6-5-9-13(14)17(20)19-15-11-7-8-12-16(15)21-4/h7-8,11-14H,5-6,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide?
2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 11846882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).