N-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide

C19H24N2O4 — CID 94026075

IUPACN-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
SMILESC[C@H]1Oc2ccccc2N(CC(=O)N(C[C@H]2CCOC2)C2CC2)C1=O
InChIInChI=1S/C19H24N2O4/c1-13-19(23)21(16-4-2-3-5-17(16)25-13)11-18(22)20(15-6-7-15)10-14-8-9-24-12-14/h2-5,13-15H,6-12H2,1H3/t13-,14-/m1/s1
InChIKeyVDQRPXWNCNNASG-ZIAGYGMSSA-N
MW344.41 g/mol
LogP1.83
Rot. Bonds5

About N-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide

N-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide (PubChem CID 94026075) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
PubChem CID94026075
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
SMILESC[C@H]1Oc2ccccc2N(CC(=O)N(C[C@H]2CCOC2)C2CC2)C1=O
InChIInChI=1S/C19H24N2O4/c1-13-19(23)21(16-4-2-3-5-17(16)25-13)11-18(22)20(15-6-7-15)10-14-8-9-24-12-14/h2-5,13-15H,6-12H2,1H3/t13-,14-/m1/s1
InChIKeyVDQRPXWNCNNASG-ZIAGYGMSSA-N
XLogP1.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18164964
N,N-dimethyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051578
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 51079032
2-methyl-4-(2-oxobutyl)-1,4-benzoxazin-3-one
CID 62038277
N-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3224980
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928652
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928653
N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 51080983
2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 18131937
N-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132276
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
N-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 100617123

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide (CID 94026075) is N-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide is C[C@H]1Oc2ccccc2N(CC(=O)N(C[C@H]2CCOC2)C2CC2)C1=O.
What is the InChIKey of N-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The InChIKey is VDQRPXWNCNNASG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-19(23)21(16-4-2-3-5-17(16)25-13)11-18(22)20(15-6-7-15)10-14-8-9-24-12-14/h2-5,13-15H,6-12H2,1H3/t13-,14-/m1/s1.
What are the key properties of N-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
N-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide has a molecular weight of 344.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 94026075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).