(5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide

C23H31N3O5 — CID 23898459

IUPAC(5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
SMILESCNC(=O)[C@@H]1[C@H]2C(=O)N(CCO)C(C(=O)Nc3c(C)cccc3C)C23CC(C)[C@@]1(C)O3
InChIInChI=1S/C23H31N3O5/c1-12-7-6-8-13(2)17(12)25-20(29)18-23-11-14(3)22(4,31-23)15(19(28)24-5)16(23)21(30)26(18)9-10-27/h6-8,14-16,18,27H,9-11H2,1-5H3,(H,24,28)(H,25,29)/t14?,15-,16-,18?,22+,23?/m0/s1
InChIKeyDIHZYUKEJNFDMI-MKKNJDJTSA-N
MW429.52 g/mol
LogP0.99
Rot. Bonds5

About (5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide

(5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (PubChem CID 23898459) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is (5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide.

Molecular Properties

Compound Name(5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
PubChem CID23898459
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name(5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
SMILESCNC(=O)[C@@H]1[C@H]2C(=O)N(CCO)C(C(=O)Nc3c(C)cccc3C)C23CC(C)[C@@]1(C)O3
InChIInChI=1S/C23H31N3O5/c1-12-7-6-8-13(2)17(12)25-20(29)18-23-11-14(3)22(4,31-23)15(19(28)24-5)16(23)21(30)26(18)9-10-27/h6-8,14-16,18,27H,9-11H2,1-5H3,(H,24,28)(H,25,29)/t14?,15-,16-,18?,22+,23?/m0/s1
InChIKeyDIHZYUKEJNFDMI-MKKNJDJTSA-N
XLogP0.99
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide with MolForge

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Related Compounds

(5R,6R,7R)-2-N-(2-chloro-6-methylphenyl)-3-(2-hydroxyethyl)-7,8-dimethyl-4-oxo-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23784562
(5R,6R,7R)-2-N-(2-chloro-6-methylphenyl)-3-(4-hydroxybutyl)-7,8-dimethyl-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23842372
(5R,6S,7S)-2-N-(2-chloro-6-methylphenyl)-3-(6-hydroxyhexyl)-7,8-dimethyl-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23870289
(5R,6S,7S)-2-N-(2,6-dimethylphenyl)-3-(6-hydroxyhexyl)-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23924398
(5R,6S,7S)-2-N-[4-(diethylamino)phenyl]-3-(6-hydroxyhexyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23755149
(5R,6R,7R)-2-N-tert-butyl-3-(6-hydroxyhexyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23954413
(5R,6S,7S)-6-N-benzyl-2-N-(2,5-dimethylphenyl)-3-(2-hydroxyethyl)-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23898214
(5R,6S,7S)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-7-methyl-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23868261
(5R,6S,7S)-6-N-benzyl-2-N-(2-chlorophenyl)-3-(2-hydroxyethyl)-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23926249
ethyl (5R,6S,7S)-2-[(2,6-dimethylphenyl)carbamoyl]-3-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
CID 23866891
(5R,6S,7S)-2-N-[4-(diethylamino)phenyl]-3-(4-hydroxybutyl)-7,8-dimethyl-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23926345
(5R,6S,7S)-2-N-(2-chlorophenyl)-3-(4-hydroxybutyl)-7,8-dimethyl-4-oxo-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23813474

Frequently Asked Questions

What is the IUPAC name of (5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The IUPAC name of (5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (CID 23898459) is (5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide.
What is the SMILES notation for (5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The canonical SMILES for (5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is CNC(=O)[C@@H]1[C@H]2C(=O)N(CCO)C(C(=O)Nc3c(C)cccc3C)C23CC(C)[C@@]1(C)O3.
What is the InChIKey of (5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The InChIKey is DIHZYUKEJNFDMI-MKKNJDJTSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-12-7-6-8-13(2)17(12)25-20(29)18-23-11-14(3)22(4,31-23)15(19(28)24-5)16(23)21(30)26(18)9-10-27/h6-8,14-16,18,27H,9-11H2,1-5H3,(H,24,28)(H,25,29)/t14?,15-,16-,18?,22+,23?/m0/s1.
What are the key properties of (5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
(5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide has a molecular weight of 429.52 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7R)-2-N-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is sourced from PubChem (CID 23898459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).