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

C19H18N2O4 — CID 9159657

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESO=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C19H18N2O4/c22-18(20-13-9-10-24-15-7-3-1-5-12(13)15)11-17-19(23)21-14-6-2-4-8-16(14)25-17/h1-8,13,17H,9-11H2,(H,20,22)(H,21,23)/t13-,17+/m1/s1
InChIKeyNEOFLLSYXFHCDW-DYVFJYSZSA-N
MW338.36 g/mol
LogP2.42
Rot. Bonds3

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

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (PubChem CID 9159657) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
PubChem CID9159657
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESO=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C19H18N2O4/c22-18(20-13-9-10-24-15-7-3-1-5-12(13)15)11-17-19(23)21-14-6-2-4-8-16(14)25-17/h1-8,13,17H,9-11H2,(H,20,22)(H,21,23)/t13-,17+/m1/s1
InChIKeyNEOFLLSYXFHCDW-DYVFJYSZSA-N
XLogP2.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 42917506
N-[(1R,2S)-2-methylcyclohexyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 7481050
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(1-propylpiperidin-1-ium-4-yl)acetamide
CID 9293140
N'-[2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]cyclohexanecarbohydrazide
CID 9327309
N-(4-methylpiperazin-1-yl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9205856
N-(4-methylpiperazin-1-yl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9205859
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 39948835
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 39948836
2-[(1R)-cyclopent-2-en-1-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 9159559

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (CID 9159657) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is O=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The InChIKey is NEOFLLSYXFHCDW-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-18(20-13-9-10-24-15-7-3-1-5-12(13)15)11-17-19(23)21-14-6-2-4-8-16(14)25-17/h1-8,13,17H,9-11H2,(H,20,22)(H,21,23)/t13-,17+/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide has a molecular weight of 338.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is sourced from PubChem (CID 9159657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).