N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

C19H21N3O2 — CID 108794386

IUPACN-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3cccc(N(C)C)c3)noc2c1
InChIInChI=1S/C19H21N3O2/c1-12-8-13(2)19-16(21-24-17(19)9-12)11-18(23)20-14-6-5-7-15(10-14)22(3)4/h5-10H,11H2,1-4H3,(H,20,23)
InChIKeyYLLPGGTZTXXQMP-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.69
Rot. Bonds4

About N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide

N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (PubChem CID 108794386) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
PubChem CID108794386
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3cccc(N(C)C)c3)noc2c1
InChIInChI=1S/C19H21N3O2/c1-12-8-13(2)19-16(21-24-17(19)9-12)11-18(23)20-14-6-5-7-15(10-14)22(3)4/h5-10H,11H2,1-4H3,(H,20,23)
InChIKeyYLLPGGTZTXXQMP-UHFFFAOYSA-N
XLogP3.69
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108806024
N-(4-bromo-3-methylphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805971
ethyl 4-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108794230
N-(4-bromo-2-methylphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805970
N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806054
N-[3-(dimethylamino)propyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794339
2-(diethylamino)ethyl 4-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108794344
N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794289
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 108806045
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 108794428
2-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]butanoic acid
CID 108805961
4-[[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]methyl]benzoic acid
CID 108794325

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide (CID 108794386) is N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is Cc1cc(C)c2c(CC(=O)Nc3cccc(N(C)C)c3)noc2c1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
The InChIKey is YLLPGGTZTXXQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-8-13(2)19-16(21-24-17(19)9-12)11-18(23)20-14-6-5-7-15(10-14)22(3)4/h5-10H,11H2,1-4H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide?
N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 108794386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).