N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide

C27H49N3O4 — CID 74578558

IUPACN-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide
SMILESCC(C(=O)NCCN1CCOCC1)C1CCC2(C)CCC(NC(=O)CC(C)(C)C)C(C)C2C1O
InChIInChI=1S/C27H49N3O4/c1-18(25(33)28-11-12-30-13-15-34-16-14-30)20-7-9-27(6)10-8-21(19(2)23(27)24(20)32)29-22(31)17-26(3,4)5/h18-21,23-24,32H,7-17H2,1-6H3,(H,28,33)(H,29,31)
InChIKeyGIOPOJVLTPLIED-UHFFFAOYSA-N
MW479.71 g/mol
LogP2.82
Rot. Bonds7

About N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide

N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide (PubChem CID 74578558) has the molecular formula C27H49N3O4 and a molecular weight of 479.71 g/mol. Its IUPAC name is N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide
PubChem CID74578558
Molecular FormulaC27H49N3O4
Molecular Weight479.71 g/mol
Exact Mass479.37
IUPAC NameN-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide
SMILESCC(C(=O)NCCN1CCOCC1)C1CCC2(C)CCC(NC(=O)CC(C)(C)C)C(C)C2C1O
InChIInChI=1S/C27H49N3O4/c1-18(25(33)28-11-12-30-13-15-34-16-14-30)20-7-9-27(6)10-8-21(19(2)23(27)24(20)32)29-22(31)17-26(3,4)5/h18-21,23-24,32H,7-17H2,1-6H3,(H,28,33)(H,29,31)
InChIKeyGIOPOJVLTPLIED-UHFFFAOYSA-N
XLogP2.82
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.71
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

2-(7-acetamido-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 74578506
N-[(1S,2S,4aS,7S,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-[1-oxo-1-(propan-2-ylamino)propan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide
CID 134787211
N-[(1S,2S,4aS,7R,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-[(2S)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-4-methoxybenzamide
CID 95222736
N-[(1S,2S,4aS,7S,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-[(2S)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyrazine-2-carboxamide
CID 28962926
N-[(1S,2S,4aS,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-[(2S)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyrazine-2-carboxamide
CID 45361538
N-[(1S,2S,4aS,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide
CID 45361425
N-[(1S,2S,4aS,7R,8S,8aS)-8-hydroxy-1,4a-dimethyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-2-methoxyacetamide
CID 38031430
2-[5-hydroxy-4,8a-dimethyl-2-(prop-2-enylamino)-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-3-ium-6-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 163131828
2-[1-hydroxy-7-(3-methoxypropanoylamino)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-(2-methoxyethyl)propanamide
CID 74578718
2-[5-hydroxy-4,8a-dimethyl-2-(methylamino)-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 5017928
(2S)-2-[(1S,2S,4aS,7S,8S,8aS)-1-hydroxy-4a,8-dimethyl-7-[(2-phenylacetyl)amino]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-tert-butylpropanamide
CID 38031486
(2S)-2-[(4S,4aS,5S,6S,8aS)-2-(tert-butylsulfonylmethyl)-5-hydroxy-4,8a-dimethyl-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 11882630

Frequently Asked Questions

What is the IUPAC name of N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide (CID 74578558) is N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide is CC(C(=O)NCCN1CCOCC1)C1CCC2(C)CCC(NC(=O)CC(C)(C)C)C(C)C2C1O.
What is the InChIKey of N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide?
The InChIKey is GIOPOJVLTPLIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N3O4/c1-18(25(33)28-11-12-30-13-15-34-16-14-30)20-7-9-27(6)10-8-21(19(2)23(27)24(20)32)29-22(31)17-26(3,4)5/h18-21,23-24,32H,7-17H2,1-6H3,(H,28,33)(H,29,31).
What are the key properties of N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide?
N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide has a molecular weight of 479.71 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-hydroxy-1,4a-dimethyl-7-[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 74578558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).