3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide

C18H17N3O4 — CID 38467305

IUPAC3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C18H17N3O4/c1-10-5-11(2)7-12(6-10)17(23)19-9-16(22)20-13-3-4-15-14(8-13)21-18(24)25-15/h3-8H,9H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyVSVYEGQWZCJBJC-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.11
Rot. Bonds4

About 3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide

3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide (PubChem CID 38467305) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
PubChem CID38467305
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C18H17N3O4/c1-10-5-11(2)7-12(6-10)17(23)19-9-16(22)20-13-3-4-15-14(8-13)21-18(24)25-15/h3-8H,9H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyVSVYEGQWZCJBJC-UHFFFAOYSA-N
XLogP2.11
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide with MolForge

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Related Compounds

4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 38467290
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
2-(2-methoxyethylamino)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide;hydrochloride
CID 119709902
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 47160045
2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37093998
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 26593848
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
2,2-dimethyl-4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 65302361
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide (CID 38467305) is 3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide is Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc3oc(=O)[nH]c3c2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide?
The InChIKey is VSVYEGQWZCJBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-10-5-11(2)7-12(6-10)17(23)19-9-16(22)20-13-3-4-15-14(8-13)21-18(24)25-15/h3-8H,9H2,1-2H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of 3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide?
3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide has a molecular weight of 339.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide is sourced from PubChem (CID 38467305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).