N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide

C20H18N2O — CID 162526691

IUPACN-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc3cc(NC)ccc3c2)c1
InChIInChI=1S/C20H18N2O/c1-3-20(23)22-19-6-4-5-14(13-19)15-7-8-17-12-18(21-2)10-9-16(17)11-15/h3-13,21H,1H2,2H3,(H,22,23)
InChIKeyWQASPGCKORWXEH-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.67
Rot. Bonds4

About N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide

N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide (PubChem CID 162526691) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
PubChem CID162526691
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc3cc(NC)ccc3c2)c1
InChIInChI=1S/C20H18N2O/c1-3-20(23)22-19-6-4-5-14(13-19)15-7-8-17-12-18(21-2)10-9-16(17)11-15/h3-13,21H,1H2,2H3,(H,22,23)
InChIKeyWQASPGCKORWXEH-UHFFFAOYSA-N
XLogP4.67
TPSA41.13 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 ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526689
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
CID 162527697
N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
CID 162528250
N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide
CID 162527524
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 90190210
N-(6-bromonaphthalen-2-yl)prop-2-enamide
CID 81259787
N-[3-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]prop-2-enamide
CID 131876477
N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide
CID 162527695
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
N-(2H-isoindol-5-yl)prop-2-enamide
CID 164518553
N-[3-(1-methyltriazol-4-yl)phenyl]prop-2-enamide
CID 139018846

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide (CID 162526691) is N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2ccc3cc(NC)ccc3c2)c1.
What is the InChIKey of N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide?
The InChIKey is WQASPGCKORWXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-3-20(23)22-19-6-4-5-14(13-19)15-7-8-17-12-18(21-2)10-9-16(17)11-15/h3-13,21H,1H2,2H3,(H,22,23).
What are the key properties of N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide?
N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide has a molecular weight of 302.38 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 162526691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).