N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide

C15H29N3O3 — CID 108518511

IUPACN'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCCN(C(=O)C(=O)NCCCN1CCOCC1)C(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-5-18(15(2,3)4)14(20)13(19)16-7-6-8-17-9-11-21-12-10-17/h5-12H2,1-4H3,(H,16,19)
InChIKeyKLMYAVZOXXIKLA-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.47
Rot. Bonds5

About N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide

N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 108518511) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID108518511
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC NameN'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCCN(C(=O)C(=O)NCCCN1CCOCC1)C(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-5-18(15(2,3)4)14(20)13(19)16-7-6-8-17-9-11-21-12-10-17/h5-12H2,1-4H3,(H,16,19)
InChIKeyKLMYAVZOXXIKLA-UHFFFAOYSA-N
XLogP0.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide
CID 108517977
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
N',N'-diethyl-N-(2-morpholin-4-ylethyl)oxamide
CID 108517535
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
1,1-diethyl-3-(4-morpholin-4-ylbutyl)urea
CID 110445097
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
CID 123810381
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108504537
(2R)-2,3-dichloro-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 7375440
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide (CID 108518511) is N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide is CCN(C(=O)C(=O)NCCCN1CCOCC1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is KLMYAVZOXXIKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-5-18(15(2,3)4)14(20)13(19)16-7-6-8-17-9-11-21-12-10-17/h5-12H2,1-4H3,(H,16,19).
What are the key properties of N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide?
N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 299.42 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 108518511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).