N-(butan-2-ylideneamino)naphthalene-1-carboxamide

C15H16N2O — CID 4560020

IUPACN-(butan-2-ylideneamino)naphthalene-1-carboxamide
SMILESCCC(C)=NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H16N2O/c1-3-11(2)16-17-15(18)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyTXPKAIWVGJQKMU-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.36
Rot. Bonds3

About N-(butan-2-ylideneamino)naphthalene-1-carboxamide

N-(butan-2-ylideneamino)naphthalene-1-carboxamide (PubChem CID 4560020) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(butan-2-ylideneamino)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(butan-2-ylideneamino)naphthalene-1-carboxamide
PubChem CID4560020
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-(butan-2-ylideneamino)naphthalene-1-carboxamide
SMILESCCC(C)=NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H16N2O/c1-3-11(2)16-17-15(18)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeyTXPKAIWVGJQKMU-UHFFFAOYSA-N
XLogP3.36
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928
N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide
CID 4079400
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343
N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide
CID 22320844
N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 7933434
2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
2-hydroxy-4-methoxy-N-[(Z)-1-naphthalen-1-ylethylideneamino]benzamide
CID 126397741
2-hydroxy-3-(2-hydroxybenzoyl)-N-[(E)-pentan-2-ylideneamino]benzamide
CID 141408132
N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
CID 7256390
N-[(4-ethylphenyl)methylideneamino]naphthalene-1-carboxamide
CID 4249042
N-[2-[(2Z)-2-butan-2-ylidenehydrazinyl]-5,7-dimethyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide
CID 50880230

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylideneamino)naphthalene-1-carboxamide?
The IUPAC name of N-(butan-2-ylideneamino)naphthalene-1-carboxamide (CID 4560020) is N-(butan-2-ylideneamino)naphthalene-1-carboxamide.
What is the SMILES notation for N-(butan-2-ylideneamino)naphthalene-1-carboxamide?
The canonical SMILES for N-(butan-2-ylideneamino)naphthalene-1-carboxamide is CCC(C)=NNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(butan-2-ylideneamino)naphthalene-1-carboxamide?
The InChIKey is TXPKAIWVGJQKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-11(2)16-17-15(18)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of N-(butan-2-ylideneamino)naphthalene-1-carboxamide?
N-(butan-2-ylideneamino)naphthalene-1-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylideneamino)naphthalene-1-carboxamide is sourced from PubChem (CID 4560020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).