N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide

C13H24N2O4 — CID 57272841

IUPACN-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide
SMILESCC(C)(C)ON(C=O)CCCC(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-15(11-16)6-4-5-12(17)14-7-9-18-10-8-14/h11H,4-10H2,1-3H3
InChIKeyMTGJXCKYIIGMMU-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.81
Rot. Bonds6

About N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide

N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide (PubChem CID 57272841) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide.

Molecular Properties

Compound NameN-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide
PubChem CID57272841
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide
SMILESCC(C)(C)ON(C=O)CCCC(=O)N1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-15(11-16)6-4-5-12(17)14-7-9-18-10-8-14/h11H,4-10H2,1-3H3
InChIKeyMTGJXCKYIIGMMU-UHFFFAOYSA-N
XLogP0.81
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide (CID 57272841) is N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide is CC(C)(C)ON(C=O)CCCC(=O)N1CCOCC1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide?
The InChIKey is MTGJXCKYIIGMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-15(11-16)6-4-5-12(17)14-7-9-18-10-8-14/h11H,4-10H2,1-3H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide?
N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide has a molecular weight of 272.34 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-N-(4-morpholin-4-yl-4-oxobutyl)formamide is sourced from PubChem (CID 57272841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).