[2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate

C23H24N2O3 — CID 67871942

IUPAC[2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate
SMILESCC(Cc1ccc2ccccc2c1)(OC(N)=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C23H24N2O3/c1-23(28-22(24)27,21(26)25-14-13-17-7-3-2-4-8-17)16-18-11-12-19-9-5-6-10-20(19)15-18/h2-12,15H,13-14,16H2,1H3,(H2,24,27)(H,25,26)
InChIKeyGDRAGYYQDIAPSQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.60
Rot. Bonds7

About [2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate

[2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate (PubChem CID 67871942) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate
PubChem CID67871942
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate
SMILESCC(Cc1ccc2ccccc2c1)(OC(N)=O)C(=O)NCCc1ccccc1
InChIInChI=1S/C23H24N2O3/c1-23(28-22(24)27,21(26)25-14-13-17-7-3-2-4-8-17)16-18-11-12-19-9-5-6-10-20(19)15-18/h2-12,15H,13-14,16H2,1H3,(H2,24,27)(H,25,26)
InChIKeyGDRAGYYQDIAPSQ-UHFFFAOYSA-N
XLogP3.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
2-adamantyl N-[2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 15200049
2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
CID 19963458
2-hydroxy-2-methyl-N-(2-phenylethyl)propanamide
CID 71525164
2-amino-N-(2-naphthalen-2-ylethyl)propanamide
CID 115152538
benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate
CID 164676045
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2-phenylethyl)acetamide
CID 9261639
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881701
2-amino-2-methyl-N-(2-phenylethyl)butanamide
CID 73062281
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
tert-butyl carbamate;propylbenzene
CID 146635957

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate?
The IUPAC name of [2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate (CID 67871942) is [2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate?
The canonical SMILES for [2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate is CC(Cc1ccc2ccccc2c1)(OC(N)=O)C(=O)NCCc1ccccc1.
What is the InChIKey of [2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate?
The InChIKey is GDRAGYYQDIAPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-23(28-22(24)27,21(26)25-14-13-17-7-3-2-4-8-17)16-18-11-12-19-9-5-6-10-20(19)15-18/h2-12,15H,13-14,16H2,1H3,(H2,24,27)(H,25,26).
What are the key properties of [2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate?
[2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate has a molecular weight of 376.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-naphthalen-2-yl-1-oxo-1-(2-phenylethylamino)propan-2-yl] carbamate is sourced from PubChem (CID 67871942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).