3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C20H27NO2 — CID 21079939

IUPAC3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCCC1C2C=CC(C2)C1C(=O)Nc1ccc(OC)cc1C
InChIInChI=1S/C20H27NO2/c1-4-5-6-17-14-7-8-15(12-14)19(17)20(22)21-18-10-9-16(23-3)11-13(18)2/h7-11,14-15,17,19H,4-6,12H2,1-3H3,(H,21,22)
InChIKeyIAYLLUJDWKVTFF-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.57
Rot. Bonds6

About 3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 21079939) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID21079939
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCCCCC1C2C=CC(C2)C1C(=O)Nc1ccc(OC)cc1C
InChIInChI=1S/C20H27NO2/c1-4-5-6-17-14-7-8-15(12-14)19(17)20(22)21-18-10-9-16(23-3)11-13(18)2/h7-11,14-15,17,19H,4-6,12H2,1-3H3,(H,21,22)
InChIKeyIAYLLUJDWKVTFF-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3S,4R)-3-[(4-methoxy-2-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18557835
3-heptyl-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 19027903
3-[(2,4-dimethoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2933422
4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119709484
(1R,2S,3R,4R)-3-[(2,4-dimethylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18390351
N-(4-methoxy-2-methylphenyl)-2-propoxyacetamide
CID 113230378
(1R,2R,3S,4R)-3-[(2,4-dimethylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124581110
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
(1S,2R,3S,4R)-2-N,3-N-bis(3-methoxyphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 6967054
3-[(4-fluoro-2-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6470679

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of 3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 21079939) is 3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for 3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for 3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is CCCCC1C2C=CC(C2)C1C(=O)Nc1ccc(OC)cc1C.
What is the InChIKey of 3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is IAYLLUJDWKVTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-5-6-17-14-7-8-15(12-14)19(17)20(22)21-18-10-9-16(23-3)11-13(18)2/h7-11,14-15,17,19H,4-6,12H2,1-3H3,(H,21,22).
What are the key properties of 3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-(4-methoxy-2-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 21079939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).