2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

C13H17N3O3 — CID 55121279

IUPAC2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c1-4-14-13(2,3)11(17)15-8-5-6-10-9(7-8)16-12(18)19-10/h5-7,14H,4H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYRUMMSFMQDNPOL-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.45
Rot. Bonds4

About 2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide

2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (PubChem CID 55121279) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
PubChem CID55121279
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O3/c1-4-14-13(2,3)11(17)15-8-5-6-10-9(7-8)16-12(18)19-10/h5-7,14H,4H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYRUMMSFMQDNPOL-UHFFFAOYSA-N
XLogP1.45
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 65302361
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
5-[(2-hydroxy-2-methylpropyl)amino]-3H-1,3-benzoxazol-2-one
CID 83822765
2-(hydroxymethyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 115186381
(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924
4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 38467290
5-[(1-amino-2-methylpropan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115131689
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide (CID 55121279) is 2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is CCNC(C)(C)C(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is YRUMMSFMQDNPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-4-14-13(2,3)11(17)15-8-5-6-10-9(7-8)16-12(18)19-10/h5-7,14H,4H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide?
2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 263.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 55121279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).