2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide

C21H24N2O5 — CID 110411045

IUPAC2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide
SMILESCOc1ccc(C(C(=O)Nc2ccc3oc(=O)n(C)c3c2)C(C)C)cc1OC
InChIInChI=1S/C21H24N2O5/c1-12(2)19(13-6-8-17(26-4)18(10-13)27-5)20(24)22-14-7-9-16-15(11-14)23(3)21(25)28-16/h6-12,19H,1-5H3,(H,22,24)
InChIKeyRGMTVADIDXAVHA-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.53
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide

2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide (PubChem CID 110411045) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide
PubChem CID110411045
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide
SMILESCOc1ccc(C(C(=O)Nc2ccc3oc(=O)n(C)c3c2)C(C)C)cc1OC
InChIInChI=1S/C21H24N2O5/c1-12(2)19(13-6-8-17(26-4)18(10-13)27-5)20(24)22-14-7-9-16-15(11-14)23(3)21(25)28-16/h6-12,19H,1-5H3,(H,22,24)
InChIKeyRGMTVADIDXAVHA-UHFFFAOYSA-N
XLogP3.53
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115164147
5-bromo-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
CID 110607972
tert-butyl N-[3-methyl-1-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]carbamate
CID 110608078
2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 110301018
1-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 95597501
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 9383564
2,2,2-trifluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115190137
N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110301025
(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide
CID 9100277
2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662027
5-[amino(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116939680
2-amino-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 116850801

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide (CID 110411045) is 2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide is COc1ccc(C(C(=O)Nc2ccc3oc(=O)n(C)c3c2)C(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide?
The InChIKey is RGMTVADIDXAVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-12(2)19(13-6-8-17(26-4)18(10-13)27-5)20(24)22-14-7-9-16-15(11-14)23(3)21(25)28-16/h6-12,19H,1-5H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide?
2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide has a molecular weight of 384.43 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)butanamide is sourced from PubChem (CID 110411045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).