(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide

C17H22N2O — CID 79013131

IUPAC(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O/c1-12(2)16(18)17(20)19(3)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12,16H,11,18H2,1-3H3/t16-/m1/s1
InChIKeyWBWXWDHVFIBYPK-MRXNPFEDSA-N
MW270.38 g/mol
LogP2.78
Rot. Bonds4

About (2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide

(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide (PubChem CID 79013131) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
PubChem CID79013131
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H22N2O/c1-12(2)16(18)17(20)19(3)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12,16H,11,18H2,1-3H3/t16-/m1/s1
InChIKeyWBWXWDHVFIBYPK-MRXNPFEDSA-N
XLogP2.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N,4-dimethyl-N-(naphthalen-2-ylmethyl)pentanamide
CID 60938303
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
(2S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylbutanamide
CID 61164005
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
CID 61264255
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489
(2S)-2-amino-N-methyl-N-[(4-methylphenyl)methyl]-3-naphthalen-2-ylpropanamide
CID 54197832
2-amino-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide;hydrochloride
CID 119270374
2-bromo-N,2-dimethyl-N-(naphthalen-2-ylmethyl)propanamide
CID 114328072
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012349
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012977

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide?
The IUPAC name of (2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide (CID 79013131) is (2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide is CC(C)[C@@H](N)C(=O)N(C)Cc1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide?
The InChIKey is WBWXWDHVFIBYPK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)16(18)17(20)19(3)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12,16H,11,18H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide?
(2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide has a molecular weight of 270.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,3-dimethyl-N-(naphthalen-2-ylmethyl)butanamide is sourced from PubChem (CID 79013131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).