4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride

C17H23ClN2O — CID 119722500

IUPAC4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCc1cccc2ccccc12.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-18-12-5-10-17(20)19-13-11-15-8-4-7-14-6-2-3-9-16(14)15;/h2-4,6-9,18H,5,10-13H2,1H3,(H,19,20);1H
InChIKeyJFRFWJQKSIFNBO-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.92
Rot. Bonds7

About 4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride

4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride (PubChem CID 119722500) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
PubChem CID119722500
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
SMILESCNCCCC(=O)NCCc1cccc2ccccc12.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-18-12-5-10-17(20)19-13-11-15-8-4-7-14-6-2-3-9-16(14)15;/h2-4,6-9,18H,5,10-13H2,1H3,(H,19,20);1H
InChIKeyJFRFWJQKSIFNBO-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-naphthalen-1-ylethyl)-5-sulfanylpentanamide
CID 102486340
3-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115139376
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide
CID 119779419
2-amino-N-(2-naphthalen-1-ylethyl)acetamide
CID 115151700
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
CID 142942330
3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 75514638
N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119679682
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 119788029
3-amino-N-(2-naphthalen-1-ylethyl)butanamide
CID 115154377
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide
CID 62369293

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride (CID 119722500) is 4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride is CNCCCC(=O)NCCc1cccc2ccccc12.Cl.
What is the InChIKey of 4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride?
The InChIKey is JFRFWJQKSIFNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c1-18-12-5-10-17(20)19-13-11-15-8-4-7-14-6-2-3-9-16(14)15;/h2-4,6-9,18H,5,10-13H2,1H3,(H,19,20);1H.
What are the key properties of 4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride?
4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride is sourced from PubChem (CID 119722500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).