N-(4-aminonaphthalen-1-yl)acetamide;aniline

C18H19N3O — CID 143752661

IUPACN-(4-aminonaphthalen-1-yl)acetamide;aniline
SMILESCC(=O)Nc1ccc(N)c2ccccc12.Nc1ccccc1
InChIInChI=1S/C12H12N2O.C6H7N/c1-8(15)14-12-7-6-11(13)9-4-2-3-5-10(9)12;7-6-4-2-1-3-5-6/h2-7H,13H2,1H3,(H,14,15);1-5H,7H2
InChIKeyNMDQFQIWEGBRJI-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.65
Rot. Bonds1

About N-(4-aminonaphthalen-1-yl)acetamide;aniline

N-(4-aminonaphthalen-1-yl)acetamide;aniline (PubChem CID 143752661) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(4-aminonaphthalen-1-yl)acetamide;aniline.

Molecular Properties

Compound NameN-(4-aminonaphthalen-1-yl)acetamide;aniline
PubChem CID143752661
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(4-aminonaphthalen-1-yl)acetamide;aniline
SMILESCC(=O)Nc1ccc(N)c2ccccc12.Nc1ccccc1
InChIInChI=1S/C12H12N2O.C6H7N/c1-8(15)14-12-7-6-11(13)9-4-2-3-5-10(9)12;7-6-4-2-1-3-5-6/h2-7H,13H2,1H3,(H,14,15);1-5H,7H2
InChIKeyNMDQFQIWEGBRJI-UHFFFAOYSA-N
XLogP3.65
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-diaminonaphthalen-1-yl)acetamide
CID 121009554
N-(4-aminonaphthalen-1-yl)furan-2-carboxamide
CID 54481080
N-(4-methylidenearsanylnaphthalen-1-yl)acetamide
CID 158613942
aniline;3-oxobutanoic acid
CID 67862985
aniline;methanol
CID 140536335
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
4-[[4-(4-aminophenyl)benzoyl]amino]naphthalene-1-carboxylic acid
CID 155204519
N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048670
aniline;phenylcarbamic acid
CID 173402321
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
N-[4-amino-2-[(1-hydroxynaphthalen-2-yl)amino]phenyl]acetamide
CID 54341488

Frequently Asked Questions

What is the IUPAC name of N-(4-aminonaphthalen-1-yl)acetamide;aniline?
The IUPAC name of N-(4-aminonaphthalen-1-yl)acetamide;aniline (CID 143752661) is N-(4-aminonaphthalen-1-yl)acetamide;aniline.
What is the SMILES notation for N-(4-aminonaphthalen-1-yl)acetamide;aniline?
The canonical SMILES for N-(4-aminonaphthalen-1-yl)acetamide;aniline is CC(=O)Nc1ccc(N)c2ccccc12.Nc1ccccc1.
What is the InChIKey of N-(4-aminonaphthalen-1-yl)acetamide;aniline?
The InChIKey is NMDQFQIWEGBRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C6H7N/c1-8(15)14-12-7-6-11(13)9-4-2-3-5-10(9)12;7-6-4-2-1-3-5-6/h2-7H,13H2,1H3,(H,14,15);1-5H,7H2.
What are the key properties of N-(4-aminonaphthalen-1-yl)acetamide;aniline?
N-(4-aminonaphthalen-1-yl)acetamide;aniline has a molecular weight of 293.37 g/mol, XLogP of 3.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminonaphthalen-1-yl)acetamide;aniline is sourced from PubChem (CID 143752661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).