N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide

C19H18N2O4 — CID 110344752

IUPACN-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
SMILESCCc1ccc(NC(=O)CCC(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C19H18N2O4/c1-2-12-3-6-14(7-4-12)20-18(23)10-9-16(22)13-5-8-15-17(11-13)25-19(24)21-15/h3-8,11H,2,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyUTCJRPXEBXHLAT-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.29
Rot. Bonds6

About N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide

N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide (PubChem CID 110344752) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
PubChem CID110344752
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
SMILESCCc1ccc(NC(=O)CCC(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C19H18N2O4/c1-2-12-3-6-14(7-4-12)20-18(23)10-9-16(22)13-5-8-15-17(11-13)25-19(24)21-15/h3-8,11H,2,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyUTCJRPXEBXHLAT-UHFFFAOYSA-N
XLogP3.29
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344771
N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344778
5-(4-fluorophenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanamide
CID 110616402
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoate
CID 110662078
3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616374
4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924
4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110608184
6-(4,4-dimethylpentanoyl)-3H-1,3-benzoxazol-2-one
CID 114212569
4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 38467775
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
CID 11790876
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The IUPAC name of N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide (CID 110344752) is N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The canonical SMILES for N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide is CCc1ccc(NC(=O)CCC(=O)c2ccc3[nH]c(=O)oc3c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The InChIKey is UTCJRPXEBXHLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-12-3-6-14(7-4-12)20-18(23)10-9-16(22)13-5-8-15-17(11-13)25-19(24)21-15/h3-8,11H,2,9-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide has a molecular weight of 338.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide is sourced from PubChem (CID 110344752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).