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

C16H24N2O — CID 61155981

IUPAC(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-11(2)10-14(17)16(19)18-15-9-5-7-12-6-3-4-8-13(12)15/h3-4,6,8,11,14-15H,5,7,9-10,17H2,1-2H3,(H,18,19)/t14-,15?/m0/s1
InChIKeyHQLBEEQZTMKDMO-MLCCFXAWSA-N
MW260.38 g/mol
LogP2.55
Rot. Bonds4

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

(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide (PubChem CID 61155981) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
PubChem CID61155981
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-11(2)10-14(17)16(19)18-15-9-5-7-12-6-3-4-8-13(12)15/h3-4,6,8,11,14-15H,5,7,9-10,17H2,1-2H3,(H,18,19)/t14-,15?/m0/s1
InChIKeyHQLBEEQZTMKDMO-MLCCFXAWSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 2559883
1-(4-methylpentyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 42954663
(2S)-2-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylpentanamide
CID 107222220
4-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 81076134
3-amino-2-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 119674447
(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide
CID 61156315
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 144973530
(2S)-2-propan-2-ylsulfonyl-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 94809577
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99132182
1-[2-(propan-2-ylsulfamoyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 122160044

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide (CID 61155981) is (2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide is CC(C)C[C@H](N)C(=O)NC1CCCc2ccccc21.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
The InChIKey is HQLBEEQZTMKDMO-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)10-14(17)16(19)18-15-9-5-7-12-6-3-4-8-13(12)15/h3-4,6,8,11,14-15H,5,7,9-10,17H2,1-2H3,(H,18,19)/t14-,15?/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide has a molecular weight of 260.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide is sourced from PubChem (CID 61155981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).