N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide

C17H22N2O — CID 81486115

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O/c1-12(2)17(3,11-18)19-16(20)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12H,11,18H2,1-3H3,(H,19,20)
InChIKeyVWYUBVXLWZRLHY-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.94
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide (PubChem CID 81486115) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
PubChem CID81486115
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O/c1-12(2)17(3,11-18)19-16(20)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12H,11,18H2,1-3H3,(H,19,20)
InChIKeyVWYUBVXLWZRLHY-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119524758
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 119609065
N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-yloxyacetamide
CID 119605476
N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119607624
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzamide;hydrochloride
CID 119605448
N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride
CID 119605904
N-(1-amino-2,3-dimethylbutan-2-yl)-4-chloro-3-methylbenzamide
CID 112701453
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide;hydrochloride
CID 119607727
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 81485679
N-(1-amino-2,3-dimethylbutan-2-yl)quinoxaline-6-carboxamide
CID 115310480

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide (CID 81486115) is N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide is CC(C)C(C)(CN)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide?
The InChIKey is VWYUBVXLWZRLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)17(3,11-18)19-16(20)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12H,11,18H2,1-3H3,(H,19,20).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 81486115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).