2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide

C15H19N3O3 — CID 86921843

IUPAC2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide
SMILESCc1nc2ccc(NC(=O)CNC(=O)C(C)(C)C)cc2o1
InChIInChI=1S/C15H19N3O3/c1-9-17-11-6-5-10(7-12(11)21-9)18-13(19)8-16-14(20)15(2,3)4/h5-7H,8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyRIYIMQPJUIBAAX-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.24
Rot. Bonds3

About 2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide

2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide (PubChem CID 86921843) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide
PubChem CID86921843
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide
SMILESCc1nc2ccc(NC(=O)CNC(=O)C(C)(C)C)cc2o1
InChIInChI=1S/C15H19N3O3/c1-9-17-11-6-5-10(7-12(11)21-9)18-13(19)8-16-14(20)15(2,3)4/h5-7H,8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyRIYIMQPJUIBAAX-UHFFFAOYSA-N
XLogP2.24
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide
CID 86921847
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
2,2,2-trifluoroethyl N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]carbamate
CID 71931821
4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115157214
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
5-[(2-methyl-1,3-benzoxazol-6-yl)amino]-5-oxopentanoic acid
CID 115163815
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 110894504
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110729012
N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide
CID 110729007
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide (CID 86921843) is 2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide is Cc1nc2ccc(NC(=O)CNC(=O)C(C)(C)C)cc2o1.
What is the InChIKey of 2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide?
The InChIKey is RIYIMQPJUIBAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-17-11-6-5-10(7-12(11)21-9)18-13(19)8-16-14(20)15(2,3)4/h5-7H,8H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide?
2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide has a molecular weight of 289.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 86921843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).