(5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide

C33H42N4O6 — CID 23898261

IUPAC(5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
SMILESCC1CC23O[C@]1(C)[C@@H](C(=O)Nc1ccccc1)[C@H]2C(=O)N([C@@H](CO)Cc1ccccc1)C3C(=O)NCCN1CCOCC1
InChIInChI=1S/C33H42N4O6/c1-22-20-33-27(26(32(22,2)43-33)29(39)35-24-11-7-4-8-12-24)31(41)37(25(21-38)19-23-9-5-3-6-10-23)28(33)30(40)34-13-14-36-15-17-42-18-16-36/h3-12,22,25-28,38H,13-21H2,1-2H3,(H,34,40)(H,35,39)/t22?,25-,26-,27+,28?,32+,33?/m1/s1
InChIKeyVGFFPVLOSSBJJA-QIBKIEHVSA-N
MW590.72 g/mol
LogP1.69
Rot. Bonds10

About (5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide

(5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (PubChem CID 23898261) has the molecular formula C33H42N4O6 and a molecular weight of 590.72 g/mol. Its IUPAC name is (5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide.

Molecular Properties

Compound Name(5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
PubChem CID23898261
Molecular FormulaC33H42N4O6
Molecular Weight590.72 g/mol
Exact Mass590.31
IUPAC Name(5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
SMILESCC1CC23O[C@]1(C)[C@@H](C(=O)Nc1ccccc1)[C@H]2C(=O)N([C@@H](CO)Cc1ccccc1)C3C(=O)NCCN1CCOCC1
InChIInChI=1S/C33H42N4O6/c1-22-20-33-27(26(32(22,2)43-33)29(39)35-24-11-7-4-8-12-24)31(41)37(25(21-38)19-23-9-5-3-6-10-23)28(33)30(40)34-13-14-36-15-17-42-18-16-36/h3-12,22,25-28,38H,13-21H2,1-2H3,(H,34,40)(H,35,39)/t22?,25-,26-,27+,28?,32+,33?/m1/s1
InChIKeyVGFFPVLOSSBJJA-QIBKIEHVSA-N
XLogP1.69
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.72
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(5R,6R,7R)-3-(5-hydroxypentyl)-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23813706
(5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-4-oxo-2-N-pentan-2-yl-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23755372
(5R,6S,7S)-2-N-benzyl-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23926300
(5R,6R,7R)-6-N-benzyl-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-4-oxo-2-N-pentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23813692
(5R,6S,7S)-6-N-benzyl-2-N-[4-(diethylamino)phenyl]-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23981996
(5S,6S,7S)-8-bromo-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-thia-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23869871
(5R,6R,7R)-3-[(1S)-2-hydroxy-1-phenylethyl]-7-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23924877
(5R,6S,7S)-2-N-[4-(diethylamino)phenyl]-6-N-(4-ethoxyphenyl)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23981995
(5R,6S,7S)-6-N-benzyl-3-[(2S)-1-hydroxybutan-2-yl]-7-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23811679
(5R,6S,7S)-2-N-benzyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N,7,8-trimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23981984
(5R,6S,7S)-2-N-(benzotriazol-1-ylmethyl)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-7,8-dimethyl-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23870241
(5S,6S,7R)-3-[(2R)-1-hydroxypropan-2-yl]-7-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-thia-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23783425

Frequently Asked Questions

What is the IUPAC name of (5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The IUPAC name of (5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (CID 23898261) is (5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide.
What is the SMILES notation for (5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The canonical SMILES for (5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is CC1CC23O[C@]1(C)[C@@H](C(=O)Nc1ccccc1)[C@H]2C(=O)N([C@@H](CO)Cc1ccccc1)C3C(=O)NCCN1CCOCC1.
What is the InChIKey of (5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The InChIKey is VGFFPVLOSSBJJA-QIBKIEHVSA-N. The full InChI is InChI=1S/C33H42N4O6/c1-22-20-33-27(26(32(22,2)43-33)29(39)35-24-11-7-4-8-12-24)31(41)37(25(21-38)19-23-9-5-3-6-10-23)28(33)30(40)34-13-14-36-15-17-42-18-16-36/h3-12,22,25-28,38H,13-21H2,1-2H3,(H,34,40)(H,35,39)/t22?,25-,26-,27+,28?,32+,33?/m1/s1.
What are the key properties of (5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
(5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide has a molecular weight of 590.72 g/mol, XLogP of 1.69, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7S)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7,8-dimethyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is sourced from PubChem (CID 23898261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).