N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide

C22H24N2O — CID 27746775

IUPACN-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide
SMILESCN(CCCNC(=O)Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H24N2O/c1-24(20-12-3-2-4-13-20)16-8-15-23-22(25)17-19-11-7-10-18-9-5-6-14-21(18)19/h2-7,9-14H,8,15-17H2,1H3,(H,23,25)
InChIKeyIUURDYFZRYIXOB-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.03
Rot. Bonds7

About N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide

N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide (PubChem CID 27746775) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide
PubChem CID27746775
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide
SMILESCN(CCCNC(=O)Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H24N2O/c1-24(20-12-3-2-4-13-20)16-8-15-23-22(25)17-19-11-7-10-18-9-5-6-14-21(18)19/h2-7,9-14H,8,15-17H2,1H3,(H,23,25)
InChIKeyIUURDYFZRYIXOB-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N-[3-(N-methylanilino)propyl]acetamide
CID 31103541
N-(3-bromopropyl)-2-naphthalen-1-ylacetamide
CID 43246333
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 110930980
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 78814923
N-(4-aminobutyl)-2-naphthalen-1-ylacetamide
CID 14751500
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 94476681

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide (CID 27746775) is N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide is CN(CCCNC(=O)Cc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide?
The InChIKey is IUURDYFZRYIXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-24(20-12-3-2-4-13-20)16-8-15-23-22(25)17-19-11-7-10-18-9-5-6-14-21(18)19/h2-7,9-14H,8,15-17H2,1H3,(H,23,25).
What are the key properties of N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide?
N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide has a molecular weight of 332.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 27746775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).