(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide

C16H24N2O — CID 61147977

IUPAC(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H24N2O/c1-16(2,3)14(17)15(19)18-13-10-6-8-11-7-4-5-9-12(11)13/h6,8,10,14H,4-5,7,9,17H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyJULQMVMDMIQSCX-CQSZACIVSA-N
MW260.38 g/mol
LogP2.88
Rot. Bonds2

About (2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide (PubChem CID 61147977) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
PubChem CID61147977
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H24N2O/c1-16(2,3)14(17)15(19)18-13-10-6-8-11-7-4-5-9-12(11)13/h6,8,10,14H,4-5,7,9,17H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyJULQMVMDMIQSCX-CQSZACIVSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)butanoic acid
CID 116536577
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 76925739
6-amino-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)heptanamide
CID 65293239
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 54991255
2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662
2-amino-2-(oxan-4-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 120783058
(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide
CID 103930188
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 61180890

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide (CID 61147977) is (2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide is CC(C)(C)[C@H](N)C(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide?
The InChIKey is JULQMVMDMIQSCX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)14(17)15(19)18-13-10-6-8-11-7-4-5-9-12(11)13/h6,8,10,14H,4-5,7,9,17H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide has a molecular weight of 260.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide is sourced from PubChem (CID 61147977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).