2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide

C18H19N3O3 — CID 67966943

IUPAC2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide
SMILESCc1noc2cccc(Oc3ccc(NC(=O)C(C)(C)N)cc3)c12
InChIInChI=1S/C18H19N3O3/c1-11-16-14(5-4-6-15(16)24-21-11)23-13-9-7-12(8-10-13)20-17(22)18(2,3)19/h4-10H,19H2,1-3H3,(H,20,22)
InChIKeyJQIXHYZPNNEFKE-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.60
Rot. Bonds4

About 2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide

2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide (PubChem CID 67966943) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide
PubChem CID67966943
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide
SMILESCc1noc2cccc(Oc3ccc(NC(=O)C(C)(C)N)cc3)c12
InChIInChI=1S/C18H19N3O3/c1-11-16-14(5-4-6-15(16)24-21-11)23-13-9-7-12(8-10-13)20-17(22)18(2,3)19/h4-10H,19H2,1-3H3,(H,20,22)
InChIKeyJQIXHYZPNNEFKE-UHFFFAOYSA-N
XLogP3.60
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenoxy)-1,2-benzoxazol-3-amine
CID 86079218
2-amino-2-methyl-N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propanamide
CID 119322899
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
2-methoxy-N-[4-(2-methoxyphenoxy)phenyl]-2-methylpropanamide
CID 131944896
(2S)-2-amino-3-hydroxy-2-methyl-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 143188431
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
CID 110480064
3,5-dimethyl-N-[2-(4-methylphenoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 17435298
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
3-methyl-3-(3-methyl-1,2-benzoxazol-4-yl)butanoic acid
CID 117337922
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
2-amino-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 61265174

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide (CID 67966943) is 2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide is Cc1noc2cccc(Oc3ccc(NC(=O)C(C)(C)N)cc3)c12.
What is the InChIKey of 2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide?
The InChIKey is JQIXHYZPNNEFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-16-14(5-4-6-15(16)24-21-11)23-13-9-7-12(8-10-13)20-17(22)18(2,3)19/h4-10H,19H2,1-3H3,(H,20,22).
What are the key properties of 2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide?
2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide has a molecular weight of 325.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-[(3-methyl-1,2-benzoxazol-4-yl)oxy]phenyl]propanamide is sourced from PubChem (CID 67966943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).