N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C19H22N2O2 — CID 122156009

IUPACN-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCOCCN(Cc1ccc(C#N)cc1)C(=O)C1CC2C=CC1C2
InChIInChI=1S/C19H22N2O2/c1-23-9-8-21(13-15-4-2-14(12-20)3-5-15)19(22)18-11-16-6-7-17(18)10-16/h2-7,16-18H,8-11,13H2,1H3
InChIKeySRDPJBDUWMLTPW-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.75
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 122156009) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID122156009
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCOCCN(Cc1ccc(C#N)cc1)C(=O)C1CC2C=CC1C2
InChIInChI=1S/C19H22N2O2/c1-23-9-8-21(13-15-4-2-14(12-20)3-5-15)19(22)18-11-16-6-7-17(18)10-16/h2-7,16-18H,8-11,13H2,1H3
InChIKeySRDPJBDUWMLTPW-UHFFFAOYSA-N
XLogP2.75
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-cyanophenyl)methyl (1R,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18556460
4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 121085063
4-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopent-2-ene-1-carboxamide
CID 79209292
(2S,4S)-N-[(4-cyanophenyl)methyl]-4-methoxy-1-methyl-N-propylpyrrolidine-2-carboxamide
CID 128978454
(E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide
CID 166316469
2-(2-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 55593679
2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338978
methyl 3-[bicyclo[2.2.1]hept-5-ene-2-carbonyl(ethyl)amino]propanoate
CID 54898736
N-benzyl-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
CID 85482644
N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 146089786
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973
2-amino-N-benzyl-N-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 64824946

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 122156009) is N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is COCCN(Cc1ccc(C#N)cc1)C(=O)C1CC2C=CC1C2.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is SRDPJBDUWMLTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-9-8-21(13-15-4-2-14(12-20)3-5-15)19(22)18-11-16-6-7-17(18)10-16/h2-7,16-18H,8-11,13H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 122156009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).