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

C15H22N2O — CID 81076134

IUPAC4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESCC(CN)CC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-11(10-16)9-15(18)17-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,11,14H,4,6,8-10,16H2,1H3,(H,17,18)
InChIKeyASDSJAHDICGSDU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.17
Rot. Bonds4

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

4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (PubChem CID 81076134) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
PubChem CID81076134
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESCC(CN)CC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C15H22N2O/c1-11(10-16)9-15(18)17-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,11,14H,4,6,8-10,16H2,1H3,(H,17,18)
InChIKeyASDSJAHDICGSDU-UHFFFAOYSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 144973530
4-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide;hydrochloride
CID 120586516
3-methyl-N-(4-propan-2-ylphenyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanediamide
CID 5137610
(3R)-3-methyl-N-(4-propan-2-ylphenyl)-N'-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanediamide
CID 7321311
5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
CID 55155027
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119948742
N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
CID 32745629
N-cyclopropyl-2-[methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]amino]acetamide
CID 9053146
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (3S)-3-phenylbutanoate
CID 7227571
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8712235
2-[[(1R)-1-phenylethyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898719
2-[[(1S)-1-phenylethyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8898721

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (CID 81076134) is 4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is CC(CN)CC(=O)NC1CCCc2ccccc21.
What is the InChIKey of 4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The InChIKey is ASDSJAHDICGSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(10-16)9-15(18)17-14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,11,14H,4,6,8-10,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide has a molecular weight of 246.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is sourced from PubChem (CID 81076134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).