N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide

C16H18N2O2 — CID 5177464

IUPACN-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
SMILESCC(C)CC(=O)NN=Cc1ccc2ccccc2c1O
InChIInChI=1S/C16H18N2O2/c1-11(2)9-15(19)18-17-10-13-8-7-12-5-3-4-6-14(12)16(13)20/h3-8,10-11,20H,9H2,1-2H3,(H,18,19)
InChIKeyUAHQELFZXMMHIS-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.04
Rot. Bonds4

About N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide

N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide (PubChem CID 5177464) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
PubChem CID5177464
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
SMILESCC(C)CC(=O)NN=Cc1ccc2ccccc2c1O
InChIInChI=1S/C16H18N2O2/c1-11(2)9-15(19)18-17-10-13-8-7-12-5-3-4-6-14(12)16(13)20/h3-8,10-11,20H,9H2,1-2H3,(H,18,19)
InChIKeyUAHQELFZXMMHIS-UHFFFAOYSA-N
XLogP3.04
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.04
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

N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide
CID 135752096
N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
CID 4547663
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide
CID 135605985
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-2-phenoxyacetamide
CID 4164317
tert-butyl N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]carbamate
CID 136898949
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
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide
CID 6008336
3,4,5-trihydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4626466
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3,4-dimethylbenzamide
CID 4252787

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide?
The IUPAC name of N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide (CID 5177464) is N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide.
What is the SMILES notation for N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide?
The canonical SMILES for N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide is CC(C)CC(=O)NN=Cc1ccc2ccccc2c1O.
What is the InChIKey of N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide?
The InChIKey is UAHQELFZXMMHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(2)9-15(19)18-17-10-13-8-7-12-5-3-4-6-14(12)16(13)20/h3-8,10-11,20H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide?
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3-methylbutanamide has a molecular weight of 270.33 g/mol, XLogP of 3.04, 4 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-methylbutanamide is sourced from PubChem (CID 5177464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).