N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide

C16H23NO — CID 137458482

IUPACN-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1CC(C)(C)Cc2ccccc21
InChIInChI=1S/C16H23NO/c1-11(2)15(18)17-14-10-16(3,4)9-12-7-5-6-8-13(12)14/h5-8,11,14H,9-10H2,1-4H3,(H,17,18)/t14-/m1/s1
InChIKeyHODKUVNFLNJCRM-CQSZACIVSA-N
MW245.37 g/mol
LogP3.47
Rot. Bonds2

About N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide

N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide (PubChem CID 137458482) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide
PubChem CID137458482
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H]1CC(C)(C)Cc2ccccc21
InChIInChI=1S/C16H23NO/c1-11(2)15(18)17-14-10-16(3,4)9-12-7-5-6-8-13(12)14/h5-8,11,14H,9-10H2,1-4H3,(H,17,18)/t14-/m1/s1
InChIKeyHODKUVNFLNJCRM-CQSZACIVSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3,3-trimethyl-2,4-dihydro-1H-naphthalen-1-amine
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(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
(2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide
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(2S)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpentanamide
CID 119797980
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-ethylphenoxy)propanamide
CID 132653341
3-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylbutanamide;hydrochloride
CID 120501370
N-[(5R)-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-yl]-4-methylsulfonylbutanamide
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CID 94004654
N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 97400190
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide?
The IUPAC name of N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide (CID 137458482) is N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@H]1CC(C)(C)Cc2ccccc21.
What is the InChIKey of N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide?
The InChIKey is HODKUVNFLNJCRM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23NO/c1-11(2)15(18)17-14-10-16(3,4)9-12-7-5-6-8-13(12)14/h5-8,11,14H,9-10H2,1-4H3,(H,17,18)/t14-/m1/s1.
What are the key properties of N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide?
N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide has a molecular weight of 245.37 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-2-methylpropanamide is sourced from PubChem (CID 137458482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).