3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide

C18H16N2O — CID 14678741

IUPAC3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2cc1N)c1ccccc1
InChIInChI=1S/C18H16N2O/c1-20(15-9-3-2-4-10-15)18(21)16-11-13-7-5-6-8-14(13)12-17(16)19/h2-12H,19H2,1H3
InChIKeyJOKGKLHDDULTJL-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.70
Rot. Bonds2

About 3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide

3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide (PubChem CID 14678741) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
PubChem CID14678741
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
SMILESCN(C(=O)c1cc2ccccc2cc1N)c1ccccc1
InChIInChI=1S/C18H16N2O/c1-20(15-9-3-2-4-10-15)18(21)16-11-13-7-5-6-8-14(13)12-17(16)19/h2-12H,19H2,1H3
InChIKeyJOKGKLHDDULTJL-UHFFFAOYSA-N
XLogP3.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.70
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

3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
2-amino-N-methyl-N-phenylquinoline-4-carboxamide
CID 62155545
3-amino-N-methyl-N-(2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 63965273
3-hydroxy-N-methyl-N-(4-methylphenyl)naphthalene-2-carboxamide
CID 22590781
3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide
CID 61207818
2-amino-3,5-dibromo-N-methyl-N-phenylbenzamide
CID 54547722
N,2-dimethyl-N-phenylbenzamide
CID 5222383
3-amino-N,4-dimethyl-N-phenylbenzamide
CID 16771335
3-amino-N-[2-(dimethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 61209357
3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide
CID 61209180
4-amino-N-methyl-N-phenylquinoline-2-carboxamide
CID 63375205
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide (CID 14678741) is 3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide is CN(C(=O)c1cc2ccccc2cc1N)c1ccccc1.
What is the InChIKey of 3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide?
The InChIKey is JOKGKLHDDULTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-20(15-9-3-2-4-10-15)18(21)16-11-13-7-5-6-8-14(13)12-17(16)19/h2-12H,19H2,1H3.
What are the key properties of 3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide?
3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 3.70, 2 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-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 14678741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).