N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide

C18H22N2O — CID 4079400

IUPACN-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide
SMILESCC(C)C(=NNC(=O)c1cccc2ccccc12)C(C)C
InChIInChI=1S/C18H22N2O/c1-12(2)17(13(3)4)19-20-18(21)16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,1-4H3,(H,20,21)
InChIKeyUMZGPPYKECFJMH-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.24
Rot. Bonds4

About N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide

N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide (PubChem CID 4079400) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide
PubChem CID4079400
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide
SMILESCC(C)C(=NNC(=O)c1cccc2ccccc12)C(C)C
InChIInChI=1S/C18H22N2O/c1-12(2)17(13(3)4)19-20-18(21)16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,1-4H3,(H,20,21)
InChIKeyUMZGPPYKECFJMH-UHFFFAOYSA-N
XLogP4.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.24
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'}

Analyze N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(butan-2-ylideneamino)naphthalene-1-carboxamide
CID 4560020
3-hydroxy-N-(1-naphthalen-1-ylethylideneamino)naphthalene-2-carboxamide
CID 4313343
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N-(5-bromopentan-2-yl)naphthalene-1-carboxamide
CID 113276035
N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
CID 7256390
N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide
CID 18121246
N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide
CID 22320844
2-hydroxy-N-[(Z)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]benzamide
CID 135887717
N-[(Z)-1-naphthalen-1-ylethylideneamino]-2,2-diphenylacetamide
CID 126396854
N-(1-methylpyrrol-2-yl)naphthalene-1-carboxamide
CID 132933719

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide?
The IUPAC name of N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide (CID 4079400) is N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide is CC(C)C(=NNC(=O)c1cccc2ccccc12)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide?
The InChIKey is UMZGPPYKECFJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12(2)17(13(3)4)19-20-18(21)16-11-7-9-14-8-5-6-10-15(14)16/h5-13H,1-4H3,(H,20,21).
What are the key properties of N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide?
N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide is sourced from PubChem (CID 4079400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).