4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

C15H22N2O — CID 54924290

IUPAC4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESCNCCCC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-16-11-5-10-15(18)17-14-9-4-7-12-6-2-3-8-13(12)14/h2-3,6,8,14,16H,4-5,7,9-11H2,1H3,(H,17,18)
InChIKeyDROWOYJFWMTOFW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.18
Rot. Bonds5

About 4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (PubChem CID 54924290) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
PubChem CID54924290
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESCNCCCC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-16-11-5-10-15(18)17-14-9-4-7-12-6-2-3-8-13(12)14/h2-3,6,8,14,16H,4-5,7,9-11H2,1H3,(H,17,18)
InChIKeyDROWOYJFWMTOFW-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.18
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-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738
4-(4-acetylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2125241
N-[4-oxo-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butyl]furan-2-carboxamide
CID 51180214
4-(2-methoxyethoxy)-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
CID 95293549
3-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43835607
ethyl 4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butanoate
CID 7837641
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43915646
3-(3,4-dimethylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 100683602

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The IUPAC name of 4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (CID 54924290) is 4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is CNCCCC(=O)NC1CCCc2ccccc21.
What is the InChIKey of 4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The InChIKey is DROWOYJFWMTOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-11-5-10-15(18)17-14-9-4-7-12-6-2-3-8-13(12)14/h2-3,6,8,14,16H,4-5,7,9-11H2,1H3,(H,17,18).
What are the key properties of 4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide has a molecular weight of 246.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is sourced from PubChem (CID 54924290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).