[(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate

C24H27NO2 — CID 101003138

IUPAC[(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate
SMILESC[C@H](NC(=O)O[C@H](c1cccc2ccccc12)C(C)(C)C)c1ccccc1
InChIInChI=1S/C24H27NO2/c1-17(18-11-6-5-7-12-18)25-23(26)27-22(24(2,3)4)21-16-10-14-19-13-8-9-15-20(19)21/h5-17,22H,1-4H3,(H,25,26)/t17-,22+/m0/s1
InChIKeyYBJWDVYKODNRJS-HTAPYJJXSA-N
MW361.49 g/mol
LogP6.41
Rot. Bonds4

About [(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate

[(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate (PubChem CID 101003138) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is [(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate.

Molecular Properties

Compound Name[(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate
PubChem CID101003138
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name[(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate
SMILESC[C@H](NC(=O)O[C@H](c1cccc2ccccc12)C(C)(C)C)c1ccccc1
InChIInChI=1S/C24H27NO2/c1-17(18-11-6-5-7-12-18)25-23(26)27-22(24(2,3)4)21-16-10-14-19-13-8-9-15-20(19)21/h5-17,22H,1-4H3,(H,25,26)/t17-,22+/m0/s1
InChIKeyYBJWDVYKODNRJS-HTAPYJJXSA-N
XLogP6.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 25171739
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307
2-hydroxyethyl N-(1-naphthalen-1-ylethyl)carbamate
CID 79349046
[(S)-cyano-(3-phenoxyphenyl)methyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 54266452
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 125470407
(2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid
CID 69229055
dinaphthalen-1-ylmethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 102204031
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
3-naphthalen-1-ylbutanoic acid
CID 43211329

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate?
The IUPAC name of [(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate (CID 101003138) is [(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate.
What is the SMILES notation for [(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate?
The canonical SMILES for [(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate is C[C@H](NC(=O)O[C@H](c1cccc2ccccc12)C(C)(C)C)c1ccccc1.
What is the InChIKey of [(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate?
The InChIKey is YBJWDVYKODNRJS-HTAPYJJXSA-N. The full InChI is InChI=1S/C24H27NO2/c1-17(18-11-6-5-7-12-18)25-23(26)27-22(24(2,3)4)21-16-10-14-19-13-8-9-15-20(19)21/h5-17,22H,1-4H3,(H,25,26)/t17-,22+/m0/s1.
What are the key properties of [(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate?
[(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate has a molecular weight of 361.49 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-dimethyl-1-naphthalen-1-ylpropyl] N-[(1S)-1-phenylethyl]carbamate is sourced from PubChem (CID 101003138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).