(1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide

C20H27NO5 — CID 15953261

IUPAC(1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide
SMILESCC1(C)OC[C@@H]2C[C@@]3(C(=O)NCc4ccccc4)OC(C)(C)O[C@H]3[C@@H]2O1
InChIInChI=1S/C20H27NO5/c1-18(2)23-12-14-10-20(16(15(14)24-18)25-19(3,4)26-20)17(22)21-11-13-8-6-5-7-9-13/h5-9,14-16H,10-12H2,1-4H3,(H,21,22)/t14-,15+,16-,20+/m0/s1
InChIKeyVBYCMUALKWCBEY-KSVNGYGVSA-N
MW361.44 g/mol
LogP2.36
Rot. Bonds3

About (1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide

(1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide (PubChem CID 15953261) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is (1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide.

Molecular Properties

Compound Name(1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide
PubChem CID15953261
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Name(1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide
SMILESCC1(C)OC[C@@H]2C[C@@]3(C(=O)NCc4ccccc4)OC(C)(C)O[C@H]3[C@@H]2O1
InChIInChI=1S/C20H27NO5/c1-18(2)23-12-14-10-20(16(15(14)24-18)25-19(3,4)26-20)17(22)21-11-13-8-6-5-7-9-13/h5-9,14-16H,10-12H2,1-4H3,(H,21,22)/t14-,15+,16-,20+/m0/s1
InChIKeyVBYCMUALKWCBEY-KSVNGYGVSA-N
XLogP2.36
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide with MolForge

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Related Compounds

1-benzyl-3-(5,5-dimethyloxolan-3-yl)urea
CID 130792779
(1S,2R,6S,8S,9R)-N-benzyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 124766563
N-benzyl-1-hydroxy-2,2-dimethylcyclopropane-1-carboxamide
CID 132515764
(3aS,5R,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2,3a-trimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole
CID 134366274
2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]acetic acid
CID 117344858
(1R,4S)-N-benzyl-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6562236
(1S,4R)-N-benzyl-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 50897670
1-[(3'aS,4R,5'R,6'S,6'aS)-6'-hydroxy-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,4'-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole]-5'-yl]-3-benzylthiourea
CID 10070034
(3aR,7aS)-N-benzyl-2-oxo-3,3a,4,5,6,7-hexahydro-1-benzofuran-7a-carboxamide
CID 132509501
6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a-(phenylmethoxymethyl)-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
CID 123850397
methyl 2-[(3aS,4R,6R,6aS)-4-benzylsulfanyl-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]acetate
CID 132561975
(2S,3S,4S,5R)-N-benzyl-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-3-triethylsilyloxypyrrolidine-2-carboxamide
CID 100996224

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide?
The IUPAC name of (1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide (CID 15953261) is (1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide.
What is the SMILES notation for (1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide?
The canonical SMILES for (1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide is CC1(C)OC[C@@H]2C[C@@]3(C(=O)NCc4ccccc4)OC(C)(C)O[C@H]3[C@@H]2O1.
What is the InChIKey of (1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide?
The InChIKey is VBYCMUALKWCBEY-KSVNGYGVSA-N. The full InChI is InChI=1S/C20H27NO5/c1-18(2)23-12-14-10-20(16(15(14)24-18)25-19(3,4)26-20)17(22)21-11-13-8-6-5-7-9-13/h5-9,14-16H,10-12H2,1-4H3,(H,21,22)/t14-,15+,16-,20+/m0/s1.
What are the key properties of (1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide?
(1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,8S)-N-benzyl-4,4,11,11-tetramethyl-3,5,10,12-tetraoxatricyclo[6.4.0.02,6]dodecane-6-carboxamide is sourced from PubChem (CID 15953261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).