N,4-dimethylnaphthalene-1-carboxamide

C13H13NO — CID 90054861

IUPACN,4-dimethylnaphthalene-1-carboxamide
SMILESCNC(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C13H13NO/c1-9-7-8-12(13(15)14-2)11-6-4-3-5-10(9)11/h3-8H,1-2H3,(H,14,15)
InChIKeyOWNYSZKRUFIYTE-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.51
Rot. Bonds1

About N,4-dimethylnaphthalene-1-carboxamide

N,4-dimethylnaphthalene-1-carboxamide (PubChem CID 90054861) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is N,4-dimethylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethylnaphthalene-1-carboxamide
PubChem CID90054861
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC NameN,4-dimethylnaphthalene-1-carboxamide
SMILESCNC(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C13H13NO/c1-9-7-8-12(13(15)14-2)11-6-4-3-5-10(9)11/h3-8H,1-2H3,(H,14,15)
InChIKeyOWNYSZKRUFIYTE-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylnaphthalene-1-carboxylate;thallium(1+)
CID 22604806
1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene
CID 58760824
methyl 4-(4-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82646447
N,4-dimethyl-1H-indazole-7-carboxamide
CID 167502004
N,2-dimethylbenzamide;trifluoroborane
CID 174957672
4,5-dimethyl-2-[(4-methylnaphthalene-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 175140929
1-[(E)-but-2-en-2-yl]-4-methylnaphthalene
CID 144623185
(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79803418
cis-methyl (1S,2R)-2-(4-methylnaphthalene-1-carbonyl)cyclopropane-1-carboxylate
CID 99993029
ethane;N,2,3-trimethylbenzamide
CID 178108869
1-[diazo-(4-methylnaphthalen-1-yl)methyl]-4-methylnaphthalene
CID 101204700
(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960064

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylnaphthalene-1-carboxamide?
The IUPAC name of N,4-dimethylnaphthalene-1-carboxamide (CID 90054861) is N,4-dimethylnaphthalene-1-carboxamide.
What is the SMILES notation for N,4-dimethylnaphthalene-1-carboxamide?
The canonical SMILES for N,4-dimethylnaphthalene-1-carboxamide is CNC(=O)c1ccc(C)c2ccccc12.
What is the InChIKey of N,4-dimethylnaphthalene-1-carboxamide?
The InChIKey is OWNYSZKRUFIYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-7-8-12(13(15)14-2)11-6-4-3-5-10(9)11/h3-8H,1-2H3,(H,14,15).
What are the key properties of N,4-dimethylnaphthalene-1-carboxamide?
N,4-dimethylnaphthalene-1-carboxamide has a molecular weight of 199.25 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylnaphthalene-1-carboxamide is sourced from PubChem (CID 90054861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).