[(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate

C15H19NO4 — CID 67440846

IUPAC[(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate
SMILESCO[C@H](C(Cc1ccccc1)OC(N)=O)[C@@H]1C=CCO1
InChIInChI=1S/C15H19NO4/c1-18-14(12-8-5-9-19-12)13(20-15(16)17)10-11-6-3-2-4-7-11/h2-8,12-14H,9-10H2,1H3,(H2,16,17)/t12-,13?,14-/m0/s1
InChIKeyIIKTYAUSPCTOTN-HPNRGHHYSA-N
MW277.32 g/mol
LogP1.66
Rot. Bonds6

About [(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate

[(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate (PubChem CID 67440846) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate
PubChem CID67440846
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate
SMILESCO[C@H](C(Cc1ccccc1)OC(N)=O)[C@@H]1C=CCO1
InChIInChI=1S/C15H19NO4/c1-18-14(12-8-5-9-19-12)13(20-15(16)17)10-11-6-3-2-4-7-11/h2-8,12-14H,9-10H2,1H3,(H2,16,17)/t12-,13?,14-/m0/s1
InChIKeyIIKTYAUSPCTOTN-HPNRGHHYSA-N
XLogP1.66
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Betaquil
CID 12825
Carbamic acid, (alpha-ethylbenzyl) ester
CID 52366
1-Phenylprop-2-en-1-yl hydrogen carbonimidate
CID 3056714
1,3-Dioxolane-4-methanol, 2-p-cumenyl-2-methyl-, carbamate, trans-
CID 36977
1,3-Dioxolane-4-methanol, 2-methyl-2-phenyl-, carbamate
CID 37271
2-Propanol, 1-benzyloxy-3-(2-propynyloxy)-, carbamate
CID 203548
2-Propanol, 1-(phenethyloxy)-3-(2-propynyloxy)-, carbamate
CID 204378
a-Methylbenzyl carbamate
CID 20190666
(s)-a-Methylbenzyl carbamate
CID 67918357
[(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate
CID 67048940
[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate
CID 67048941
[3-(2,5-Dihydrofuran-2-yl)-4,4-difluoro-1-phenylbutan-2-yl] carbamate
CID 67048942

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate?
The IUPAC name of [(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate (CID 67440846) is [(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate.
What is the SMILES notation for [(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate?
The canonical SMILES for [(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate is CO[C@H](C(Cc1ccccc1)OC(N)=O)[C@@H]1C=CCO1.
What is the InChIKey of [(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate?
The InChIKey is IIKTYAUSPCTOTN-HPNRGHHYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-18-14(12-8-5-9-19-12)13(20-15(16)17)10-11-6-3-2-4-7-11/h2-8,12-14H,9-10H2,1H3,(H2,16,17)/t12-,13?,14-/m0/s1.
What are the key properties of [(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate?
[(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate has a molecular weight of 277.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2S)-2,5-dihydrofuran-2-yl]-1-methoxy-3-phenylpropan-2-yl] carbamate is sourced from PubChem (CID 67440846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).