N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

C22H26N2O5 — CID 9376437

IUPACN-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESCCCOc1ccc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1OCCC
InChIInChI=1S/C22H26N2O5/c1-3-11-27-18-10-9-15(13-19(18)28-12-4-2)23-21(25)14-20-22(26)24-16-7-5-6-8-17(16)29-20/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26)/t20-/m1/s1
InChIKeyBHQSYLHGOWZDMS-HXUWFJFHSA-N
MW398.46 g/mol
LogP3.99
Rot. Bonds9

About N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (PubChem CID 9376437) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
PubChem CID9376437
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESCCCOc1ccc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1OCCC
InChIInChI=1S/C22H26N2O5/c1-3-11-27-18-10-9-15(13-19(18)28-12-4-2)23-21(25)14-20-22(26)24-16-7-5-6-8-17(16)29-20/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26)/t20-/m1/s1
InChIKeyBHQSYLHGOWZDMS-HXUWFJFHSA-N
XLogP3.99
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881642
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9474071
N-(3,4-dimethoxyphenyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768978
N-(9H-fluoren-3-yl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9378346
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 40505300
N-[4-(methylsulfamoyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9188498
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide
CID 9374032
2-[(2R)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(4-methylphenyl)acetamide
CID 51409612
N-(2,3-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881627
N-[3-(morpholin-4-ylmethyl)phenyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768927
N-(6-methyl-2-pyridinyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75769936
N-(3,4-dimethylphenyl)-2-[(2S)-6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 51427064

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (CID 9376437) is N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is CCCOc1ccc(NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The InChIKey is BHQSYLHGOWZDMS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-11-27-18-10-9-15(13-19(18)28-12-4-2)23-21(25)14-20-22(26)24-16-7-5-6-8-17(16)29-20/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,23,25)(H,24,26)/t20-/m1/s1.
What are the key properties of N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is sourced from PubChem (CID 9376437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).