tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate

C20H29NO6 — CID 102370620

IUPACtert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate
SMILESCOC1O[C@H](C(NC(=O)OC(C)(C)C)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C20H29NO6/c1-19(2,3)27-18(22)21-13(12-10-8-7-9-11-12)14-15-16(17(23-6)24-14)26-20(4,5)25-15/h7-11,13-17H,1-6H3,(H,21,22)/t13?,14-,15-,16-,17?/m1/s1
InChIKeyMXPDGMRBAROKFQ-CUQMJCILSA-N
MW379.45 g/mol
LogP3.14
Rot. Bonds4

About tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate

tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate (PubChem CID 102370620) has the molecular formula C20H29NO6 and a molecular weight of 379.45 g/mol. Its IUPAC name is tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate
PubChem CID102370620
Molecular FormulaC20H29NO6
Molecular Weight379.45 g/mol
Exact Mass379.20
IUPAC Nametert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate
SMILESCOC1O[C@H](C(NC(=O)OC(C)(C)C)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C20H29NO6/c1-19(2,3)27-18(22)21-13(12-10-8-7-9-11-12)14-15-16(17(23-6)24-14)26-20(4,5)25-15/h7-11,13-17H,1-6H3,(H,21,22)/t13?,14-,15-,16-,17?/m1/s1
InChIKeyMXPDGMRBAROKFQ-CUQMJCILSA-N
XLogP3.14
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate?
The IUPAC name of tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate (CID 102370620) is tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate is COC1O[C@H](C(NC(=O)OC(C)(C)C)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate?
The InChIKey is MXPDGMRBAROKFQ-CUQMJCILSA-N. The full InChI is InChI=1S/C20H29NO6/c1-19(2,3)27-18(22)21-13(12-10-8-7-9-11-12)14-15-16(17(23-6)24-14)26-20(4,5)25-15/h7-11,13-17H,1-6H3,(H,21,22)/t13?,14-,15-,16-,17?/m1/s1.
What are the key properties of tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate?
tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate has a molecular weight of 379.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3aR,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-phenylmethyl]carbamate is sourced from PubChem (CID 102370620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).