N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C27H40N4O4 — CID 124988963

IUPACN-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC[C@@H](O)[C@]23CC[C@@H](N(C)C)[C@H](O)[C@](C)(C[C@@H](c4ccccc4)C2)O3)n1
InChIInChI=1S/C27H40N4O4/c1-18-13-19(2)31(29-18)17-24(33)28-16-23(32)27-12-11-22(30(4)5)25(34)26(3,35-27)14-21(15-27)20-9-7-6-8-10-20/h6-10,13,21-23,25,32,34H,11-12,14-17H2,1-5H3,(H,28,33)/t21-,22-,23-,25+,26+,27+/m1/s1
InChIKeyOQVVNYNNFUDTSG-UBSPVUBISA-N
MW484.64 g/mol
LogP2.15
Rot. Bonds7

About N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 124988963) has the molecular formula C27H40N4O4 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID124988963
Molecular FormulaC27H40N4O4
Molecular Weight484.64 g/mol
Exact Mass484.30
IUPAC NameN-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC[C@@H](O)[C@]23CC[C@@H](N(C)C)[C@H](O)[C@](C)(C[C@@H](c4ccccc4)C2)O3)n1
InChIInChI=1S/C27H40N4O4/c1-18-13-19(2)31(29-18)17-24(33)28-16-23(32)27-12-11-22(30(4)5)25(34)26(3,35-27)14-21(15-27)20-9-7-6-8-10-20/h6-10,13,21-23,25,32,34H,11-12,14-17H2,1-5H3,(H,28,33)/t21-,22-,23-,25+,26+,27+/m1/s1
InChIKeyOQVVNYNNFUDTSG-UBSPVUBISA-N
XLogP2.15
TPSA99.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 124988963) is N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NC[C@@H](O)[C@]23CC[C@@H](N(C)C)[C@H](O)[C@](C)(C[C@@H](c4ccccc4)C2)O3)n1.
What is the InChIKey of N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is OQVVNYNNFUDTSG-UBSPVUBISA-N. The full InChI is InChI=1S/C27H40N4O4/c1-18-13-19(2)31(29-18)17-24(33)28-16-23(32)27-12-11-22(30(4)5)25(34)26(3,35-27)14-21(15-27)20-9-7-6-8-10-20/h6-10,13,21-23,25,32,34H,11-12,14-17H2,1-5H3,(H,28,33)/t21-,22-,23-,25+,26+,27+/m1/s1.
What are the key properties of N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 484.64 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(1S,4R,5S,6S,8R)-4-(dimethylamino)-5-hydroxy-6-methyl-8-phenyl-10-oxabicyclo[4.3.1]decan-1-yl]-2-hydroxyethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 124988963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).