[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate

C25H34N4O5 — CID 16572824

IUPAC[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
SMILESCCCn1nc(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C25H34N4O5/c1-2-12-29-23(31)20-9-5-4-8-19(20)22(27-29)24(32)34-17-21(30)26-18-25(10-6-3-7-11-25)28-13-15-33-16-14-28/h4-5,8-9H,2-3,6-7,10-18H2,1H3,(H,26,30)
InChIKeyKUTKFUJOJFMOOV-UHFFFAOYSA-N
MW470.57 g/mol
LogP2.11
Rot. Bonds8

About [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate

[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate (PubChem CID 16572824) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate.

Molecular Properties

Compound Name[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
PubChem CID16572824
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Name[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
SMILESCCCn1nc(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)c2ccccc2c1=O
InChIInChI=1S/C25H34N4O5/c1-2-12-29-23(31)20-9-5-4-8-19(20)22(27-29)24(32)34-17-21(30)26-18-25(10-6-3-7-11-25)28-13-15-33-16-14-28/h4-5,8-9H,2-3,6-7,10-18H2,1H3,(H,26,30)
InChIKeyKUTKFUJOJFMOOV-UHFFFAOYSA-N
XLogP2.11
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate with MolForge

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Related Compounds

[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 55441795
[2-oxo-2-(propan-2-ylamino)ethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 2602836
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502557
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 16575448
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 55325325
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 3361667
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate
CID 55475345
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 2648597
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 2680435
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 17464931
[2-(cyclooctylamino)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 55325185
[2-(2-methoxyethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 7167911

Frequently Asked Questions

What is the IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate?
The IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate (CID 16572824) is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate.
What is the SMILES notation for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate?
The canonical SMILES for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate is CCCn1nc(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)c2ccccc2c1=O.
What is the InChIKey of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate?
The InChIKey is KUTKFUJOJFMOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-2-12-29-23(31)20-9-5-4-8-19(20)22(27-29)24(32)34-17-21(30)26-18-25(10-6-3-7-11-25)28-13-15-33-16-14-28/h4-5,8-9H,2-3,6-7,10-18H2,1H3,(H,26,30).
What are the key properties of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate?
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate has a molecular weight of 470.57 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate is sourced from PubChem (CID 16572824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).