3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide

C15H17N3O2 — CID 61209357

IUPAC3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H17N3O2/c1-18(2)14(19)9-17-15(20)12-7-10-5-3-4-6-11(10)8-13(12)16/h3-8H,9,16H2,1-2H3,(H,17,20)
InChIKeyWHIGAHPMLSOGLU-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide

3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 61209357) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID61209357
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H17N3O2/c1-18(2)14(19)9-17-15(20)12-7-10-5-3-4-6-11(10)8-13(12)16/h3-8H,9,16H2,1-2H3,(H,17,20)
InChIKeyWHIGAHPMLSOGLU-UHFFFAOYSA-N
XLogP1.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
CID 102705008
3-amino-N-prop-2-enylnaphthalene-2-carboxamide
CID 61207809
3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide
CID 114266969
3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
CID 102694900
3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 63957570
3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
CID 61209537
3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide
CID 61209356
3-amino-5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872185
3-amino-N-(3-methylsulfinylbutyl)naphthalene-2-carboxamide
CID 115734819
3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 14678741
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 61209365

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide (CID 61209357) is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide is CN(C)C(=O)CNC(=O)c1cc2ccccc2cc1N.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is WHIGAHPMLSOGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18(2)14(19)9-17-15(20)12-7-10-5-3-4-6-11(10)8-13(12)16/h3-8H,9,16H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide?
3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 61209357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).