4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide

C14H19N3O2 — CID 115157214

IUPAC4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
SMILESCc1nc2ccc(NC(=O)CC(C)(C)CN)cc2o1
InChIInChI=1S/C14H19N3O2/c1-9-16-11-5-4-10(6-12(11)19-9)17-13(18)7-14(2,3)8-15/h4-6H,7-8,15H2,1-3H3,(H,17,18)
InChIKeyUUSWEURSDCQUQX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.45
Rot. Bonds4

About 4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide

4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide (PubChem CID 115157214) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
PubChem CID115157214
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
SMILESCc1nc2ccc(NC(=O)CC(C)(C)CN)cc2o1
InChIInChI=1S/C14H19N3O2/c1-9-16-11-5-4-10(6-12(11)19-9)17-13(18)7-14(2,3)8-15/h4-6H,7-8,15H2,1-3H3,(H,17,18)
InChIKeyUUSWEURSDCQUQX-UHFFFAOYSA-N
XLogP2.45
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
2,2-dimethyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]propanamide
CID 86921843
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
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)carbamoyl bromide
CID 115193310
4-tert-butyl-N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]benzamide
CID 86921847
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
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
2,2,2-trifluoroethyl N-[2-[(2-methyl-1,3-benzoxazol-6-yl)amino]-2-oxoethyl]carbamate
CID 71931821
N-(2-methyl-1,3-benzoxazol-6-yl)-3-phenoxypropanamide
CID 110729007
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110729012

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide?
The IUPAC name of 4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide (CID 115157214) is 4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide.
What is the SMILES notation for 4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide?
The canonical SMILES for 4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide is Cc1nc2ccc(NC(=O)CC(C)(C)CN)cc2o1.
What is the InChIKey of 4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide?
The InChIKey is UUSWEURSDCQUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-16-11-5-4-10(6-12(11)19-9)17-13(18)7-14(2,3)8-15/h4-6H,7-8,15H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide?
4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide has a molecular weight of 261.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide is sourced from PubChem (CID 115157214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).