N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

C20H22N2O5 — CID 51686732

IUPACN-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESCC[C@@H]1Oc2ccccc2N(CC(=O)Nc2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C20H22N2O5/c1-4-16-20(24)22(15-7-5-6-8-18(15)27-16)12-19(23)21-14-11-13(25-2)9-10-17(14)26-3/h5-11,16H,4,12H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyQRYRYGLQUMLCSG-INIZCTEOSA-N
MW370.41 g/mol
LogP2.85
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (PubChem CID 51686732) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
PubChem CID51686732
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
SMILESCC[C@@H]1Oc2ccccc2N(CC(=O)Nc2cc(OC)ccc2OC)C1=O
InChIInChI=1S/C20H22N2O5/c1-4-16-20(24)22(15-7-5-6-8-18(15)27-16)12-19(23)21-14-11-13(25-2)9-10-17(14)26-3/h5-11,16H,4,12H2,1-3H3,(H,21,23)/t16-/m0/s1
InChIKeyQRYRYGLQUMLCSG-INIZCTEOSA-N
XLogP2.85
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 653285
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 1086609
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 5017270
N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 757970
N-(2,5-dimethoxyphenyl)-2-[(2R)-3-oxo-2-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 92882642
N-(2,4-dimethoxyphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 51265045
N-(2,5-dimethoxyphenyl)-2-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetamide
CID 98232752
N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide
CID 2924640
N-(2,5-dimethoxyphenyl)-2-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetamide
CID 6600773
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-heptylacetamide
CID 92853475
N-(2,5-dimethoxyphenyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 25359216
N-(2-iodo-5-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 47088024

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide (CID 51686732) is N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is CC[C@@H]1Oc2ccccc2N(CC(=O)Nc2cc(OC)ccc2OC)C1=O.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
The InChIKey is QRYRYGLQUMLCSG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-4-16-20(24)22(15-7-5-6-8-18(15)27-16)12-19(23)21-14-11-13(25-2)9-10-17(14)26-3/h5-11,16H,4,12H2,1-3H3,(H,21,23)/t16-/m0/s1.
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 51686732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).