2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide

C23H32N4O6 — CID 171517753

IUPAC2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide
SMILESC/C(=N/OCC(=O)N(C)C(Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1)C(O)C(C)O
InChIInChI=1S/C23H32N4O6/c1-15(22(30)16(2)28)25-33-14-21(29)26(3)20(23(31)27-8-10-32-11-9-27)12-17-13-24-19-7-5-4-6-18(17)19/h4-7,13,16,20,22,24,28,30H,8-12,14H2,1-3H3/b25-15-
InChIKeyPRGKQEAFLSUXKD-MYYYXRDXSA-N
MW460.53 g/mol
LogP0.53
Rot. Bonds9

About 2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide

2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide (PubChem CID 171517753) has the molecular formula C23H32N4O6 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide
PubChem CID171517753
Molecular FormulaC23H32N4O6
Molecular Weight460.53 g/mol
Exact Mass460.23
IUPAC Name2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide
SMILESC/C(=N/OCC(=O)N(C)C(Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1)C(O)C(C)O
InChIInChI=1S/C23H32N4O6/c1-15(22(30)16(2)28)25-33-14-21(29)26(3)20(23(31)27-8-10-32-11-9-27)12-17-13-24-19-7-5-4-6-18(17)19/h4-7,13,16,20,22,24,28,30H,8-12,14H2,1-3H3/b25-15-
InChIKeyPRGKQEAFLSUXKD-MYYYXRDXSA-N
XLogP0.53
TPSA127.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide with MolForge

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Related Compounds

N-[1-(azetidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxyacetamide;methanol
CID 171517761
N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110286492
N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 3549726
3-acetamido-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide
CID 110625994
(2R)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1H-indol-3-yl)-2-methylpropan-1-one
CID 7678686
2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774384
N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide
CID 110286518
(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 10694604
2-[(E)-[(3S)-5,6-dihydroxy-3-methoxy-2,2-dimethylheptan-4-ylidene]amino]oxy-N-[1-(3,3-dimethylazetidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 170263333
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-morpholin-4-yl-3-oxopropyl)propanamide
CID 119956298
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate
CID 45353288

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide?
The IUPAC name of 2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide (CID 171517753) is 2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide is C/C(=N/OCC(=O)N(C)C(Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1)C(O)C(C)O.
What is the InChIKey of 2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide?
The InChIKey is PRGKQEAFLSUXKD-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H32N4O6/c1-15(22(30)16(2)28)25-33-14-21(29)26(3)20(23(31)27-8-10-32-11-9-27)12-17-13-24-19-7-5-4-6-18(17)19/h4-7,13,16,20,22,24,28,30H,8-12,14H2,1-3H3/b25-15-.
What are the key properties of 2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide?
2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide has a molecular weight of 460.53 g/mol, XLogP of 0.53, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3,4-dihydroxypentan-2-ylideneamino]oxy-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-methylacetamide is sourced from PubChem (CID 171517753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).