N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide

C12H23N3O4 — CID 108517619

IUPACN'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H23N3O4/c1-12(2,9-16)14-11(18)10(17)13-3-4-15-5-7-19-8-6-15/h16H,3-9H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyRGCHXOHBNPBUSX-UHFFFAOYSA-N
MW273.33 g/mol
LogP-1.68
Rot. Bonds5

About N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide

N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide (PubChem CID 108517619) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide
PubChem CID108517619
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H23N3O4/c1-12(2,9-16)14-11(18)10(17)13-3-4-15-5-7-19-8-6-15/h16H,3-9H2,1-2H3,(H,13,17)(H,14,18)
InChIKeyRGCHXOHBNPBUSX-UHFFFAOYSA-N
XLogP-1.68
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea
CID 43384725
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
CID 25171579
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517535
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
(E)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]prop-2-enamide
CID 144927766
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 7375443
N-[2-(4-hydroxyphenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108503044
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide?
The IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide (CID 108517619) is N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide.
What is the SMILES notation for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide?
The canonical SMILES for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide is CC(C)(CO)NC(=O)C(=O)NCCN1CCOCC1.
What is the InChIKey of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide?
The InChIKey is RGCHXOHBNPBUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-12(2,9-16)14-11(18)10(17)13-3-4-15-5-7-19-8-6-15/h16H,3-9H2,1-2H3,(H,13,17)(H,14,18).
What are the key properties of N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide?
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide has a molecular weight of 273.33 g/mol, XLogP of -1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide is sourced from PubChem (CID 108517619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).