N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C20H20N2O3 — CID 26011956

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C20H20N2O3/c23-19(21-16-10-9-14-5-1-2-6-15(14)16)11-12-22-17-7-3-4-8-18(17)25-13-20(22)24/h1-8,16H,9-13H2,(H,21,23)/t16-/m1/s1
InChIKeyKLAQPYRWYUZCSJ-MRXNPFEDSA-N
MW336.39 g/mol
LogP2.61
Rot. Bonds4

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 26011956) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID26011956
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C20H20N2O3/c23-19(21-16-10-9-14-5-1-2-6-15(14)16)11-12-22-17-7-3-4-8-18(17)25-13-20(22)24/h1-8,16H,9-13H2,(H,21,23)/t16-/m1/s1
InChIKeyKLAQPYRWYUZCSJ-MRXNPFEDSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 26011956) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is O=C(CCN1C(=O)COc2ccccc21)N[C@@H]1CCc2ccccc21.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is KLAQPYRWYUZCSJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(21-16-10-9-14-5-1-2-6-15(14)16)11-12-22-17-7-3-4-8-18(17)25-13-20(22)24/h1-8,16H,9-13H2,(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 336.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 26011956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).