N'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide

C14H28N2O3 — CID 108525272

IUPACN'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCN(C(=O)C(=O)NCCCOC(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-7-16(14(4,5)6)13(18)12(17)15-9-8-10-19-11(2)3/h11H,7-10H2,1-6H3,(H,15,17)
InChIKeyAUFUFLUCLJMBSN-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.56
Rot. Bonds6

About N'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide

N'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 108525272) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID108525272
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC NameN'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCN(C(=O)C(=O)NCCCOC(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-7-16(14(4,5)6)13(18)12(17)15-9-8-10-19-11(2)3/h11H,7-10H2,1-6H3,(H,15,17)
InChIKeyAUFUFLUCLJMBSN-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N'-ethyl-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518511
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725
(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
CID 92660589
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(3-propan-2-yloxypropyl)acetamide
CID 79661979
2-(dimethylamino)-N-(3-propan-2-yloxypropyl)acetamide
CID 156560781
5,5-dimethyl-N-(3-propan-2-yloxypropyl)hexanamide
CID 156551412
N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide
CID 108517389
N'-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 11897657
(2R)-2-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 79012909
2-ethoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 60638133
2-amino-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide;hydrochloride
CID 119677886
N'-(2-ethylhexyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 46742173

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide (CID 108525272) is N'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide is CCN(C(=O)C(=O)NCCCOC(C)C)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is AUFUFLUCLJMBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-7-16(14(4,5)6)13(18)12(17)15-9-8-10-19-11(2)3/h11H,7-10H2,1-6H3,(H,15,17).
What are the key properties of N'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide?
N'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 272.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-ethyl-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 108525272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).