benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate

C17H21NO5 — CID 171857346

IUPACbenzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate
SMILESCCc1ccc(C(O)C(O)CNC(=O)OCc2ccccc2)o1
InChIInChI=1S/C17H21NO5/c1-2-13-8-9-15(23-13)16(20)14(19)10-18-17(21)22-11-12-6-4-3-5-7-12/h3-9,14,16,19-20H,2,10-11H2,1H3,(H,18,21)
InChIKeyJABFTVPIOUJMQH-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.16
Rot. Bonds7

About benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171857346) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID171857346
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Namebenzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate
SMILESCCc1ccc(C(O)C(O)CNC(=O)OCc2ccccc2)o1
InChIInChI=1S/C17H21NO5/c1-2-13-8-9-15(23-13)16(20)14(19)10-18-17(21)22-11-12-6-4-3-5-7-12/h3-9,14,16,19-20H,2,10-11H2,1H3,(H,18,21)
InChIKeyJABFTVPIOUJMQH-UHFFFAOYSA-N
XLogP2.16
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]furan-2-carboxylate
CID 171855884
benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855969
benzyl N-[3-(5-ethylthiophen-2-yl)-2,3-dihydroxypropyl]carbamate
CID 171857273
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[(2R,3S)-2,3-dihydroxypent-4-enyl]carbamate
CID 14701263
benzyl N-[2,3-dihydroxy-3-[4-(methylamino)phenyl]propyl]carbamate
CID 171855663
benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171855626
benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855924
benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855925
benzyl N-[2,3-dihydroxy-3-(5-methylthiophen-2-yl)propyl]carbamate
CID 171855314
benzyl N-[2,3-dihydroxy-3-(3-methylphenyl)propyl]carbamate
CID 171855346
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]carbamate
CID 170835599

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate (CID 171857346) is benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate is CCc1ccc(C(O)C(O)CNC(=O)OCc2ccccc2)o1.
What is the InChIKey of benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is JABFTVPIOUJMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-2-13-8-9-15(23-13)16(20)14(19)10-18-17(21)22-11-12-6-4-3-5-7-12/h3-9,14,16,19-20H,2,10-11H2,1H3,(H,18,21).
What are the key properties of benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 319.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171857346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).