benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate

C20H23NO3 — CID 10087705

IUPACbenzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
SMILESC=CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO3/c1-2-9-19(22)18(14-16-10-5-3-6-11-16)21-20(23)24-15-17-12-7-4-8-13-17/h2-8,10-13,18-19,22H,1,9,14-15H2,(H,21,23)/t18-,19-/m0/s1
InChIKeyAUVMAGUEDLCRKO-OALUTQOASA-N
MW325.41 g/mol
LogP3.46
Rot. Bonds8

About benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate

benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate (PubChem CID 10087705) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
PubChem CID10087705
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namebenzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
SMILESC=CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H23NO3/c1-2-9-19(22)18(14-16-10-5-3-6-11-16)21-20(23)24-15-17-12-7-4-8-13-17/h2-8,10-13,18-19,22H,1,9,14-15H2,(H,21,23)/t18-,19-/m0/s1
InChIKeyAUVMAGUEDLCRKO-OALUTQOASA-N
XLogP3.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(4R,5S)-5-hydroxy-2-methyloct-7-en-4-yl]carbamate
CID 10913307
benzyl N-[(2S)-3-(2-benzoylhydrazinyl)-1-phenylhex-5-en-2-yl]carbamate
CID 10551237
(2S,3R)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 11067450
methyl (3R,4S)-3-hydroxy-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate
CID 139247104
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
benzyl N-(3-hydroxy-4-nitro-1-phenylbutan-2-yl)carbamate
CID 18417543
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956
benzyl N-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methyl-1,6-diphenylhexan-2-yl]carbamate
CID 58416941
benzyl N-(1-phenylhex-5-en-3-yl)carbamate
CID 11120434
methyl (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11046151
benzyl N-[(2R)-1-oxo-1-phenylpent-4-en-2-yl]carbamate
CID 86614018
benzyl N-[(1S,2R)-1-cyano-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 11077778

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate (CID 10087705) is benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate is C=CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate?
The InChIKey is AUVMAGUEDLCRKO-OALUTQOASA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-9-19(22)18(14-16-10-5-3-6-11-16)21-20(23)24-15-17-12-7-4-8-13-17/h2-8,10-13,18-19,22H,1,9,14-15H2,(H,21,23)/t18-,19-/m0/s1.
What are the key properties of benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate?
benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate is sourced from PubChem (CID 10087705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).