N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide

C20H18N2O2 — CID 4252787

IUPACN-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2ccc3ccccc3c2O)cc1C
InChIInChI=1S/C20H18N2O2/c1-13-7-8-16(11-14(13)2)20(24)22-21-12-17-10-9-15-5-3-4-6-18(15)19(17)23/h3-12,23H,1-2H3,(H,22,24)
InChIKeyAXIIVJQLZCWFAC-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.93
Rot. Bonds3

About N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide

N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide (PubChem CID 4252787) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide
PubChem CID4252787
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NN=Cc2ccc3ccccc3c2O)cc1C
InChIInChI=1S/C20H18N2O2/c1-13-7-8-16(11-14(13)2)20(24)22-21-12-17-10-9-15-5-3-4-6-18(15)19(17)23/h3-12,23H,1-2H3,(H,22,24)
InChIKeyAXIIVJQLZCWFAC-UHFFFAOYSA-N
XLogP3.93
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
3,4,5-trihydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4626466
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 141213990
2-N,5-N-bis[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 135837519
2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 4670148
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
3-chloro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
CID 137122870
N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 136727629
N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
CID 4547663
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
2,4-dichloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 136750620
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
CID 135752096

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide?
The IUPAC name of N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide (CID 4252787) is N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NN=Cc2ccc3ccccc3c2O)cc1C.
What is the InChIKey of N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide?
The InChIKey is AXIIVJQLZCWFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-13-7-8-16(11-14(13)2)20(24)22-21-12-17-10-9-15-5-3-4-6-18(15)19(17)23/h3-12,23H,1-2H3,(H,22,24).
What are the key properties of N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide?
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide has a molecular weight of 318.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide is sourced from PubChem (CID 4252787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).