3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide

C22H26N2O4 — CID 55959074

IUPAC3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C22H26N2O4/c1-14(2)28-18-9-6-16(7-10-18)5-4-15(3)23-22(26)17-8-11-19-20(12-17)27-13-21(25)24-19/h6-12,14-15H,4-5,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyCRBLIYUXIINRBG-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.56
Rot. Bonds7

About 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide

3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 55959074) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound Name3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide
PubChem CID55959074
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C22H26N2O4/c1-14(2)28-18-9-6-16(7-10-18)5-4-15(3)23-22(26)17-8-11-19-20(12-17)27-13-21(25)24-19/h6-12,14-15H,4-5,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyCRBLIYUXIINRBG-UHFFFAOYSA-N
XLogP3.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide with MolForge

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Related Compounds

N-(1-hydroxypropan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418628
3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide
CID 60533644
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
CID 110493154
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
CID 61343515
N-(1-hydroxybutan-2-yl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 43418065
(2S)-4-methyl-2-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]pentanoic acid
CID 119361799
N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
propan-2-yl 3-(4-methylphenyl)-3-[(3-oxo-4H-1,4-benzoxazine-7-carbonyl)amino]propanoate
CID 55440083
N-[1-(4-tert-butylphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 134043362
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 39968289
N-(2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 115612739
4-[4-(4-propan-2-yloxyphenyl)butan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 119180775

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide (CID 55959074) is 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide is CC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is CRBLIYUXIINRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-14(2)28-18-9-6-16(7-10-18)5-4-15(3)23-22(26)17-8-11-19-20(12-17)27-13-21(25)24-19/h6-12,14-15H,4-5,13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide?
3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 55959074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).