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

C26H35N3O6 — CID 23924561

IUPAC(5R,6R,7R)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(CCO)C(C(=O)NC4CCCCC4)C34CC[C@H]2O4)cc1
InChIInChI=1S/C26H35N3O6/c1-2-34-18-10-8-17(9-11-18)27-23(31)20-19-12-13-26(35-19)21(20)25(33)29(14-15-30)22(26)24(32)28-16-6-4-3-5-7-16/h8-11,16,19-22,30H,2-7,12-15H2,1H3,(H,27,31)(H,28,32)/t19-,20+,21+,22?,26?/m1/s1
InChIKeyLTGKTOIZUFLTMO-BNWPUIRCSA-N
MW485.58 g/mol
LogP1.84
Rot. Bonds8

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

(5R,6R,7R)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (PubChem CID 23924561) has the molecular formula C26H35N3O6 and a molecular weight of 485.58 g/mol. Its IUPAC name is (5R,6R,7R)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide.

Molecular Properties

Compound Name(5R,6R,7R)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
PubChem CID23924561
Molecular FormulaC26H35N3O6
Molecular Weight485.58 g/mol
Exact Mass485.25
IUPAC Name(5R,6R,7R)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(CCO)C(C(=O)NC4CCCCC4)C34CC[C@H]2O4)cc1
InChIInChI=1S/C26H35N3O6/c1-2-34-18-10-8-17(9-11-18)27-23(31)20-19-12-13-26(35-19)21(20)25(33)29(14-15-30)22(26)24(32)28-16-6-4-3-5-7-16/h8-11,16,19-22,30H,2-7,12-15H2,1H3,(H,27,31)(H,28,32)/t19-,20+,21+,22?,26?/m1/s1
InChIKeyLTGKTOIZUFLTMO-BNWPUIRCSA-N
XLogP1.84
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

(5R,6S,7S)-2-N-[4-(diethylamino)phenyl]-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23753243
(5R,6S,7S)-6-N-(4-ethoxyphenyl)-3-(4-hydroxybutyl)-2-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23952239
(5R,6R,7R)-2-N-[4-(diethylamino)phenyl]-6-N-(4-ethoxyphenyl)-3-(5-hydroxypentyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23840614
ethyl (1R,2R,5S,6S,7S)-2-(cyclohexylcarbamoyl)-3-(4-hydroxybutyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
CID 25090275
(5R,6R,7R)-2-N-cyclohexyl-3-(6-hydroxyhexyl)-4-oxo-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 25092105
(5R,6R,7R)-3-(4-hydroxybutyl)-2-N-(4-methoxyphenyl)-6-N-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23924817
ethyl (1R,2R,5S,6S,7S)-3-(3-hydroxypropyl)-2-[(4-methoxyphenyl)carbamoyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
CID 23871248
(5R,6R,7R)-2-N-butyl-6-N-(4-ethoxyphenyl)-3-[(2R)-1-hydroxypropan-2-yl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23896568
(5R,6R,7R)-3-(3-hydroxypropyl)-2-N-(4-methoxyphenyl)-4-oxo-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23811986
(5S,6R,7S)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(5-hydroxypentyl)-9-methyl-4-oxo-10-thia-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23897582
(5R,6S,7R)-8-bromo-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-2-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23813511
2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(3-methylbutyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 22421476

Frequently Asked Questions

What is the IUPAC name of (5R,6R,7R)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The IUPAC name of (5R,6R,7R)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (CID 23924561) is (5R,6R,7R)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-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-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The canonical SMILES for (5R,6R,7R)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is CCOc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(CCO)C(C(=O)NC4CCCCC4)C34CC[C@H]2O4)cc1.
What is the InChIKey of (5R,6R,7R)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The InChIKey is LTGKTOIZUFLTMO-BNWPUIRCSA-N. The full InChI is InChI=1S/C26H35N3O6/c1-2-34-18-10-8-17(9-11-18)27-23(31)20-19-12-13-26(35-19)21(20)25(33)29(14-15-30)22(26)24(32)28-16-6-4-3-5-7-16/h8-11,16,19-22,30H,2-7,12-15H2,1H3,(H,27,31)(H,28,32)/t19-,20+,21+,22?,26?/m1/s1.
What are the key properties of (5R,6R,7R)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
(5R,6R,7R)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide has a molecular weight of 485.58 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7R)-2-N-cyclohexyl-6-N-(4-ethoxyphenyl)-3-(2-hydroxyethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is sourced from PubChem (CID 23924561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).