6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide

C20H18N2O — CID 142645139

IUPAC6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide
SMILESNCc1ccc(/C=C/c2ccc3cc(C(N)=O)ccc3c2)cc1
InChIInChI=1S/C20H18N2O/c21-13-16-5-2-14(3-6-16)1-4-15-7-8-18-12-19(20(22)23)10-9-17(18)11-15/h1-12H,13,21H2,(H2,22,23)/b4-1+
InChIKeyAKONZJZARIWIQH-DAFODLJHSA-N
MW302.38 g/mol
LogP3.57
Rot. Bonds4

About 6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide

6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide (PubChem CID 142645139) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide
PubChem CID142645139
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide
SMILESNCc1ccc(/C=C/c2ccc3cc(C(N)=O)ccc3c2)cc1
InChIInChI=1S/C20H18N2O/c21-13-16-5-2-14(3-6-16)1-4-15-7-8-18-12-19(20(22)23)10-9-17(18)11-15/h1-12H,13,21H2,(H2,22,23)/b4-1+
InChIKeyAKONZJZARIWIQH-DAFODLJHSA-N
XLogP3.57
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide?
The IUPAC name of 6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide (CID 142645139) is 6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide?
The canonical SMILES for 6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide is NCc1ccc(/C=C/c2ccc3cc(C(N)=O)ccc3c2)cc1.
What is the InChIKey of 6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide?
The InChIKey is AKONZJZARIWIQH-DAFODLJHSA-N. The full InChI is InChI=1S/C20H18N2O/c21-13-16-5-2-14(3-6-16)1-4-15-7-8-18-12-19(20(22)23)10-9-17(18)11-15/h1-12H,13,21H2,(H2,22,23)/b4-1+.
What are the key properties of 6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide?
6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 142645139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).