N'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide

C19H25N3O5 — CID 24792459

IUPACN'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
SMILESCC(C)(C)NC(=O)CN(C(=O)C(=O)Nc1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C19H25N3O5/c1-19(2,3)21-16(23)11-22(13-5-6-13)18(25)17(24)20-12-4-7-14-15(10-12)27-9-8-26-14/h4,7,10,13H,5-6,8-9,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyOUBQIEQABONSKT-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.30
Rot. Bonds4

About N'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide

N'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide (PubChem CID 24792459) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide.

Molecular Properties

Compound NameN'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
PubChem CID24792459
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
SMILESCC(C)(C)NC(=O)CN(C(=O)C(=O)Nc1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C19H25N3O5/c1-19(2,3)21-16(23)11-22(13-5-6-13)18(25)17(24)20-12-4-7-14-15(10-12)27-9-8-26-14/h4,7,10,13H,5-6,8-9,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyOUBQIEQABONSKT-UHFFFAOYSA-N
XLogP1.30
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide?
The IUPAC name of N'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide (CID 24792459) is N'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide.
What is the SMILES notation for N'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide?
The canonical SMILES for N'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide is CC(C)(C)NC(=O)CN(C(=O)C(=O)Nc1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of N'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide?
The InChIKey is OUBQIEQABONSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-19(2,3)21-16(23)11-22(13-5-6-13)18(25)17(24)20-12-4-7-14-15(10-12)27-9-8-26-14/h4,7,10,13H,5-6,8-9,11H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide?
N'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide has a molecular weight of 375.43 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(tert-butylamino)-2-oxoethyl]-N'-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide is sourced from PubChem (CID 24792459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).