N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide

C24H44N2O4 — CID 25339674

IUPACN-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide
SMILESCOCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@@H]2NC(=O)CC(C)(C)C
InChIInChI=1S/C24H44N2O4/c1-21(2,3)16-20(28)26-18-15-22(4,5)17-14-23(6,29)10-11-24(17,18)9-8-19(27)25-12-13-30-7/h17-18,29H,8-16H2,1-7H3,(H,25,27)(H,26,28)/t17-,18-,23-,24-/m0/s1
InChIKeyAHZBBBSMZGEONV-MQQADFIWSA-N
MW424.63 g/mol
LogP3.42
Rot. Bonds8

About N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide

N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide (PubChem CID 25339674) has the molecular formula C24H44N2O4 and a molecular weight of 424.63 g/mol. Its IUPAC name is N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide
PubChem CID25339674
Molecular FormulaC24H44N2O4
Molecular Weight424.63 g/mol
Exact Mass424.33
IUPAC NameN-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide
SMILESCOCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@@H]2NC(=O)CC(C)(C)C
InChIInChI=1S/C24H44N2O4/c1-21(2,3)16-20(28)26-18-15-22(4,5)17-14-23(6,29)10-11-24(17,18)9-8-19(27)25-12-13-30-7/h17-18,29H,8-16H2,1-7H3,(H,25,27)(H,26,28)/t17-,18-,23-,24-/m0/s1
InChIKeyAHZBBBSMZGEONV-MQQADFIWSA-N
XLogP3.42
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide 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

3-[6-hydroxy-3-[(2-methoxyacetyl)amino]-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
CID 74443511
N-[5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-4-(trifluoromethyl)benzamide
CID 74443548
3-[(3S,3aR,6S,7aS)-3-(cyclobutylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-methoxyethyl)propanamide
CID 28961191
3-[(3S,3aS,6R,7aS)-6-hydroxy-1,1,6-trimethyl-3-[(2-phenylacetyl)amino]-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 163146501
3-[3-(cyclohexylmethylamino)-6-hydroxy-1,1,6-trimethyl-2,3,4,5,7,7a-hexahydroinden-3a-yl]-N-cyclopropylpropanamide
CID 74443529
N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide
CID 108574166
N-(2-methoxyethyl)-3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propanamide
CID 112700248
3-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 112700222
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]-3-oxopropyl]carbamate
CID 61217502
3,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanamide
CID 155613017
1-tert-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 51039629

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide (CID 25339674) is N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide is COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@@H]2NC(=O)CC(C)(C)C.
What is the InChIKey of N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide?
The InChIKey is AHZBBBSMZGEONV-MQQADFIWSA-N. The full InChI is InChI=1S/C24H44N2O4/c1-21(2,3)16-20(28)26-18-15-22(4,5)17-14-23(6,29)10-11-24(17,18)9-8-19(27)25-12-13-30-7/h17-18,29H,8-16H2,1-7H3,(H,25,27)(H,26,28)/t17-,18-,23-,24-/m0/s1.
What are the key properties of N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide?
N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide has a molecular weight of 424.63 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3aS,5S,7aR)-5-hydroxy-7a-[3-(2-methoxyethylamino)-3-oxopropyl]-3,3,5-trimethyl-1,2,3a,4,6,7-hexahydroinden-1-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 25339674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).