(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

C24H32ClN3O5 — CID 23784562

IUPAC(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
SMILESCCCNC(=O)[C@@H]1[C@H]2C(=O)N(CCO)C(C(=O)Nc3c(C)cccc3Cl)C23CC(C)[C@@]1(C)O3
InChIInChI=1S/C24H32ClN3O5/c1-5-9-26-20(30)16-17-22(32)28(10-11-29)19(24(17)12-14(3)23(16,4)33-24)21(31)27-18-13(2)7-6-8-15(18)25/h6-8,14,16-17,19,29H,5,9-12H2,1-4H3,(H,26,30)(H,27,31)/t14?,16-,17-,19?,23+,24?/m0/s1
InChIKeyZNEDPFVYZLBOPU-UZIKIMMZSA-N
MW477.99 g/mol
LogP2.12
Rot. Bonds7

About (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

(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 (PubChem CID 23784562) has the molecular formula C24H32ClN3O5 and a molecular weight of 477.99 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID23784562
Molecular FormulaC24H32ClN3O5
Molecular Weight477.99 g/mol
Exact Mass477.20
IUPAC Name(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
SMILESCCCNC(=O)[C@@H]1[C@H]2C(=O)N(CCO)C(C(=O)Nc3c(C)cccc3Cl)C23CC(C)[C@@]1(C)O3
InChIInChI=1S/C24H32ClN3O5/c1-5-9-26-20(30)16-17-22(32)28(10-11-29)19(24(17)12-14(3)23(16,4)33-24)21(31)27-18-13(2)7-6-8-15(18)25/h6-8,14,16-17,19,29H,5,9-12H2,1-4H3,(H,26,30)(H,27,31)/t14?,16-,17-,19?,23+,24?/m0/s1
InChIKeyZNEDPFVYZLBOPU-UZIKIMMZSA-N
XLogP2.12
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.99
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(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
(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
(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)-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
(5R,6S,7S)-6-N-benzyl-2-N-(2-chloro-6-methylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23898236
(5R,6R,7R)-3-(6-hydroxyhexyl)-7,8-dimethyl-2-N-naphthalen-2-yl-4-oxo-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23784647
(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,6R,7R)-2-N-(2,6-dimethylphenyl)-7-ethyl-3-(6-hydroxyhexyl)-4-oxo-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23896783
ethyl (5S,6S,7R)-2-[(2-chloro-6-methylphenyl)carbamoyl]-3-(2-hydroxyethyl)-7-methyl-4-oxo-10-thia-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
CID 23978527
(5R,6R,7R)-2-N-(4-chlorophenyl)-3-(2-hydroxyethyl)-7-methyl-4-oxo-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23896537
ethyl (5R,6R,7R)-2-[(2-chloro-6-methylphenyl)carbamoyl]-7-ethyl-3-(4-hydroxybutyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylate
CID 23838344

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCNC(=O)[C@@H]1[C@H]2C(=O)N(CCO)C(C(=O)Nc3c(C)cccc3Cl)C23CC(C)[C@@]1(C)O3.
What is the InChIKey of (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?
The InChIKey is ZNEDPFVYZLBOPU-UZIKIMMZSA-N. The full InChI is InChI=1S/C24H32ClN3O5/c1-5-9-26-20(30)16-17-22(32)28(10-11-29)19(24(17)12-14(3)23(16,4)33-24)21(31)27-18-13(2)7-6-8-15(18)25/h6-8,14,16-17,19,29H,5,9-12H2,1-4H3,(H,26,30)(H,27,31)/t14?,16-,17-,19?,23+,24?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 477.99 g/mol, XLogP of 2.12, 7 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-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 is sourced from PubChem (CID 23784562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).