N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

C21H24N2O3 — CID 110390284

IUPACN-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCc2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C21H24N2O3/c1-21(2,3)15-6-8-16(9-7-15)22-19(24)11-5-14-4-10-18-17(12-14)23-20(25)13-26-18/h4,6-10,12H,5,11,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMFLHTEOOTXUZBQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.89
Rot. Bonds4

About N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 110390284) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID110390284
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCC(C)(C)c1ccc(NC(=O)CCc2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C21H24N2O3/c1-21(2,3)15-6-8-16(9-7-15)22-19(24)11-5-14-4-10-18-17(12-14)23-20(25)13-26-18/h4,6-10,12H,5,11,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyMFLHTEOOTXUZBQ-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide
CID 110390331
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 110390327
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
CID 110770344
N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770336
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110390306
N-(2-methyl-4-phenylbut-3-yn-2-yl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 166280342
3-(4-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789938
N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344982

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 110390284) is N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is CC(C)(C)c1ccc(NC(=O)CCc2ccc3c(c2)NC(=O)CO3)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is MFLHTEOOTXUZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-21(2,3)15-6-8-16(9-7-15)22-19(24)11-5-14-4-10-18-17(12-14)23-20(25)13-26-18/h4,6-10,12H,5,11,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 110390284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).