benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate

C19H22N2O3 — CID 165402709

IUPACbenzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate
SMILESC[C@H]1Oc2cccnc2[C@@H]1C(C)(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-13-16(17-15(24-13)10-7-11-20-17)19(2,3)21-18(22)23-12-14-8-5-4-6-9-14/h4-11,13,16H,12H2,1-3H3,(H,21,22)/t13-,16-/m1/s1
InChIKeyHFYUZSHVDKTMBN-CZUORRHYSA-N
MW326.40 g/mol
LogP3.65
Rot. Bonds4

About benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate

benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate (PubChem CID 165402709) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate
PubChem CID165402709
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namebenzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate
SMILESC[C@H]1Oc2cccnc2[C@@H]1C(C)(C)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-13-16(17-15(24-13)10-7-11-20-17)19(2,3)21-18(22)23-12-14-8-5-4-6-9-14/h4-11,13,16H,12H2,1-3H3,(H,21,22)/t13-,16-/m1/s1
InChIKeyHFYUZSHVDKTMBN-CZUORRHYSA-N
XLogP3.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate?
The IUPAC name of benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate (CID 165402709) is benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate is C[C@H]1Oc2cccnc2[C@@H]1C(C)(C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate?
The InChIKey is HFYUZSHVDKTMBN-CZUORRHYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-16(17-15(24-13)10-7-11-20-17)19(2,3)21-18(22)23-12-14-8-5-4-6-9-14/h4-11,13,16H,12H2,1-3H3,(H,21,22)/t13-,16-/m1/s1.
What are the key properties of benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate?
benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate is sourced from PubChem (CID 165402709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).