3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide

C22H26N2O5 — CID 9145525

IUPAC3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)ccc1OCC(C)C
InChIInChI=1S/C22H26N2O5/c1-5-27-20-10-15(6-8-19(20)28-12-13(2)3)22(26)23-16-7-9-18-17(11-16)24-21(25)14(4)29-18/h6-11,13-14H,5,12H2,1-4H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyZPNHEKBVXCJARV-CQSZACIVSA-N
MW398.46 g/mol
LogP4.09
Rot. Bonds7

About 3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide

3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide (PubChem CID 9145525) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide
PubChem CID9145525
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)ccc1OCC(C)C
InChIInChI=1S/C22H26N2O5/c1-5-27-20-10-15(6-8-19(20)28-12-13(2)3)22(26)23-16-7-9-18-17(11-16)24-21(25)14(4)29-18/h6-11,13-14H,5,12H2,1-4H3,(H,23,26)(H,24,25)/t14-/m1/s1
InChIKeyZPNHEKBVXCJARV-CQSZACIVSA-N
XLogP4.09
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hexoxy-3-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 9145193
4-(difluoromethoxy)-3-methoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 43014034
3-bromo-4-methoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 9147464
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
2-ethoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]pyridine-3-carboxamide
CID 41036803
N-(4-ethoxyphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682853
4-(diethylamino)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40973912
N-(4-acetamidophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683124
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145051
N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9096664
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]furan-3-carboxamide
CID 51640081

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide (CID 9145525) is 3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide is CCOc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)ccc1OCC(C)C.
What is the InChIKey of 3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide?
The InChIKey is ZPNHEKBVXCJARV-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-5-27-20-10-15(6-8-19(20)28-12-13(2)3)22(26)23-16-7-9-18-17(11-16)24-21(25)14(4)29-18/h6-11,13-14H,5,12H2,1-4H3,(H,23,26)(H,24,25)/t14-/m1/s1.
What are the key properties of 3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide?
3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide has a molecular weight of 398.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 9145525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).