[(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate

C20H19NO2 — CID 102238094

IUPAC[(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate
SMILESC[C@H](COC(=O)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H19NO2/c1-15(16-8-3-2-4-9-16)14-23-20(22)21-19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15H,14H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyWZWWHICKMMEIKV-OAHLLOKOSA-N
MW305.38 g/mol
LogP5.19
Rot. Bonds4

About [(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate

[(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate (PubChem CID 102238094) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is [(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name[(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate
PubChem CID102238094
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name[(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate
SMILESC[C@H](COC(=O)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H19NO2/c1-15(16-8-3-2-4-9-16)14-23-20(22)21-19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15H,14H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyWZWWHICKMMEIKV-OAHLLOKOSA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(propan-2-ylamino)ethyl N-naphthalen-1-ylcarbamate
CID 79337527
2-ethylhexyl N-naphthalen-1-ylcarbamate
CID 15066270
naphthalen-1-ylurea;hydrochloride
CID 141142203
[(2R)-2-phenylpropyl] carbamate
CID 175384997
[(2S)-2-phenylpropyl] acetate
CID 10261650
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea
CID 40647880
methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium
CID 9466761
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-naphthalen-1-ylacetamide
CID 9131594
azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
[(E)-[(3E)-3-(naphthalen-1-ylcarbamoyloxyimino)butan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 43835675

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate?
The IUPAC name of [(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate (CID 102238094) is [(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate.
What is the SMILES notation for [(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate?
The canonical SMILES for [(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate is C[C@H](COC(=O)Nc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of [(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate?
The InChIKey is WZWWHICKMMEIKV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19NO2/c1-15(16-8-3-2-4-9-16)14-23-20(22)21-19-13-7-11-17-10-5-6-12-18(17)19/h2-13,15H,14H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of [(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate?
[(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate has a molecular weight of 305.38 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-phenylpropyl] N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 102238094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).