ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate

C22H23NO3 — CID 131740477

IUPACethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate
SMILESCCOC(=O)NCC(c1ccccc1)C(O)c1cccc2ccccc12
InChIInChI=1S/C22H23NO3/c1-2-26-22(25)23-15-20(17-9-4-3-5-10-17)21(24)19-14-8-12-16-11-6-7-13-18(16)19/h3-14,20-21,24H,2,15H2,1H3,(H,23,25)
InChIKeyPPAWFBXMCWPHGY-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.40
Rot. Bonds6

About ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate

ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate (PubChem CID 131740477) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate
PubChem CID131740477
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Nameethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate
SMILESCCOC(=O)NCC(c1ccccc1)C(O)c1cccc2ccccc12
InChIInChI=1S/C22H23NO3/c1-2-26-22(25)23-15-20(17-9-4-3-5-10-17)21(24)19-14-8-12-16-11-6-7-13-18(16)19/h3-14,20-21,24H,2,15H2,1H3,(H,23,25)
InChIKeyPPAWFBXMCWPHGY-UHFFFAOYSA-N
XLogP4.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-(4-chlorophenyl)-3-hydroxy-3-phenylpropyl]carbamate
CID 118675481
methyl (2S,3S)-3-hydroxy-3-naphthalen-1-yl-2-phenylpropanoate
CID 10852177
ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
CID 71517486
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
diethyl 2-[benzamido(naphthalen-1-yl)methyl]propanedioate
CID 102169461
(2-amino-2-naphthalen-1-ylethyl)carbamic acid
CID 150721997
methyl 4-[hydroxy(naphthalen-1-yl)methyl]benzoate
CID 46217309
ethyl 5-hydroxy-4-naphthalen-1-ylhexanoate
CID 174829353
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
benzene;ethyl N-benzylcarbamate
CID 67715166

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate?
The IUPAC name of ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate (CID 131740477) is ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate.
What is the SMILES notation for ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate?
The canonical SMILES for ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate is CCOC(=O)NCC(c1ccccc1)C(O)c1cccc2ccccc12.
What is the InChIKey of ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate?
The InChIKey is PPAWFBXMCWPHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-2-26-22(25)23-15-20(17-9-4-3-5-10-17)21(24)19-14-8-12-16-11-6-7-13-18(16)19/h3-14,20-21,24H,2,15H2,1H3,(H,23,25).
What are the key properties of ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate?
ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate has a molecular weight of 349.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-hydroxy-3-naphthalen-1-yl-2-phenylpropyl)carbamate is sourced from PubChem (CID 131740477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).