phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate

C20H17N3O5 — CID 2751276

IUPACphenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate
SMILESN#CC1=CC[C@H](NC(=O)Oc2ccccc2)[C@@H](NC(=O)Oc2ccccc2)O1
InChIInChI=1S/C20H17N3O5/c21-13-16-11-12-17(22-19(24)27-14-7-3-1-4-8-14)18(26-16)23-20(25)28-15-9-5-2-6-10-15/h1-11,17-18H,12H2,(H,22,24)(H,23,25)/t17-,18-/m0/s1
InChIKeyHIINXNFIZGTNBS-ROUUACIJSA-N
MW379.37 g/mol
LogP3.09
Rot. Bonds4

About phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate

phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate (PubChem CID 2751276) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate
PubChem CID2751276
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Namephenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate
SMILESN#CC1=CC[C@H](NC(=O)Oc2ccccc2)[C@@H](NC(=O)Oc2ccccc2)O1
InChIInChI=1S/C20H17N3O5/c21-13-16-11-12-17(22-19(24)27-14-7-3-1-4-8-14)18(26-16)23-20(25)28-15-9-5-2-6-10-15/h1-11,17-18H,12H2,(H,22,24)(H,23,25)/t17-,18-/m0/s1
InChIKeyHIINXNFIZGTNBS-ROUUACIJSA-N
XLogP3.09
TPSA109.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate?
The IUPAC name of phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate (CID 2751276) is phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate.
What is the SMILES notation for phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate?
The canonical SMILES for phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate is N#CC1=CC[C@H](NC(=O)Oc2ccccc2)[C@@H](NC(=O)Oc2ccccc2)O1.
What is the InChIKey of phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate?
The InChIKey is HIINXNFIZGTNBS-ROUUACIJSA-N. The full InChI is InChI=1S/C20H17N3O5/c21-13-16-11-12-17(22-19(24)27-14-7-3-1-4-8-14)18(26-16)23-20(25)28-15-9-5-2-6-10-15/h1-11,17-18H,12H2,(H,22,24)(H,23,25)/t17-,18-/m0/s1.
What are the key properties of phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate?
phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate has a molecular weight of 379.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2S,3S)-6-cyano-2-(phenoxycarbonylamino)-3,4-dihydro-2H-pyran-3-yl]carbamate is sourced from PubChem (CID 2751276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).