3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide

C17H22N2O — CID 63965273

IUPAC3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C17H22N2O/c1-5-17(2,3)19(4)16(20)14-10-12-8-6-7-9-13(12)11-15(14)18/h6-11H,5,18H2,1-4H3
InChIKeyCXAHHFMKFSOSLS-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.68
Rot. Bonds3

About 3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide

3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide (PubChem CID 63965273) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
PubChem CID63965273
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C17H22N2O/c1-5-17(2,3)19(4)16(20)14-10-12-8-6-7-9-13(12)11-15(14)18/h6-11H,5,18H2,1-4H3
InChIKeyCXAHHFMKFSOSLS-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)benzamide
CID 63962505
2-amino-N-methyl-N-(2-methylbutan-2-yl)quinoline-4-carboxamide
CID 63961651
3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 14678741
3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide
CID 61207818
3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide
CID 61209180
2-amino-N-methyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
CID 63961873
4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63957648
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 61209357
6-amino-N-methyl-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
CID 63962079
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 61209365
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide
CID 113475389

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide (CID 63965273) is 3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide is CCC(C)(C)N(C)C(=O)c1cc2ccccc2cc1N.
What is the InChIKey of 3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide?
The InChIKey is CXAHHFMKFSOSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-17(2,3)19(4)16(20)14-10-12-8-6-7-9-13(12)11-15(14)18/h6-11H,5,18H2,1-4H3.
What are the key properties of 3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide?
3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 63965273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).