N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide

C20H18N2O2 — CID 801047

IUPACN-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H18N2O2/c1-14(23)22(2)17-10-8-16(9-11-17)21-13-19-18-6-4-3-5-15(18)7-12-20(19)24/h3-13,24H,1-2H3/b21-13+
InChIKeyPGOPGDACDQVNKB-FYJGNVAPSA-N
MW318.38 g/mol
LogP4.28
Rot. Bonds3

About N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide

N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide (PubChem CID 801047) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide
PubChem CID801047
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H18N2O2/c1-14(23)22(2)17-10-8-16(9-11-17)21-13-19-18-6-4-3-5-15(18)7-12-20(19)24/h3-13,24H,1-2H3/b21-13+
InChIKeyPGOPGDACDQVNKB-FYJGNVAPSA-N
XLogP4.28
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide (CID 801047) is N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide is CC(=O)N(C)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide?
The InChIKey is PGOPGDACDQVNKB-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14(23)22(2)17-10-8-16(9-11-17)21-13-19-18-6-4-3-5-15(18)7-12-20(19)24/h3-13,24H,1-2H3/b21-13+.
What are the key properties of N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide?
N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide has a molecular weight of 318.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 801047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).