2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide

C24H28N2O2 — CID 118675529

IUPAC2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide
SMILESCCN(C)C[C@H](c1ccc2ccccc2c1)[C@H](OCC(N)=O)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-3-26(2)16-22(21-14-13-18-9-7-8-12-20(18)15-21)24(28-17-23(25)27)19-10-5-4-6-11-19/h4-15,22,24H,3,16-17H2,1-2H3,(H2,25,27)/t22-,24-/m1/s1
InChIKeyTYSDGMNGHJGKJI-ISKFKSNPSA-N
MW376.50 g/mol
LogP4.12
Rot. Bonds9

About 2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide

2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide (PubChem CID 118675529) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide.

Molecular Properties

Compound Name2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide
PubChem CID118675529
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide
SMILESCCN(C)C[C@H](c1ccc2ccccc2c1)[C@H](OCC(N)=O)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-3-26(2)16-22(21-14-13-18-9-7-8-12-20(18)15-21)24(28-17-23(25)27)19-10-5-4-6-11-19/h4-15,22,24H,3,16-17H2,1-2H3,(H2,25,27)/t22-,24-/m1/s1
InChIKeyTYSDGMNGHJGKJI-ISKFKSNPSA-N
XLogP4.12
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S,3S)-3-[2-[methoxy(methyl)amino]-2-oxoethoxy]-2-naphthalen-2-yl-3-phenylpropyl]-N-methylcarbamate
CID 140861319
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
ethyl [naphthalen-2-yl(phenyl)methyl] carbonate
CID 67900296
(2S,3R)-N-methyl-3-[4-[(1R,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropoxy]butoxy]-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68761263
3-(dimethylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
CID 22385898
2-bromo-N-[(2R,3R)-3-hydroxy-2-naphthalen-2-yl-3-phenylpropyl]-N-methylacetamide
CID 118675458
methyl 3-[ethyl(methyl)amino]-2-phenylpropanoate
CID 64567687
(3S)-3-methoxy-N-methyl-2-naphthalen-2-yl-3-phenylpropan-1-amine
CID 68760026
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
3,4-dihydroxy-4-naphthalen-2-ylbutanamide
CID 171899360
ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
CID 171240068
ethyl N-[(1R)-2-hydroxy-1-naphthalen-2-ylethyl]carbamate
CID 15364975

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide?
The IUPAC name of 2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide (CID 118675529) is 2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide.
What is the SMILES notation for 2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide?
The canonical SMILES for 2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide is CCN(C)C[C@H](c1ccc2ccccc2c1)[C@H](OCC(N)=O)c1ccccc1.
What is the InChIKey of 2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide?
The InChIKey is TYSDGMNGHJGKJI-ISKFKSNPSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-3-26(2)16-22(21-14-13-18-9-7-8-12-20(18)15-21)24(28-17-23(25)27)19-10-5-4-6-11-19/h4-15,22,24H,3,16-17H2,1-2H3,(H2,25,27)/t22-,24-/m1/s1.
What are the key properties of 2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide?
2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide has a molecular weight of 376.50 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-3-[ethyl(methyl)amino]-2-naphthalen-2-yl-1-phenylpropoxy]acetamide is sourced from PubChem (CID 118675529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).