N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

C20H20N2O3 — CID 42943383

IUPACN-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESO=C1Nc2ccccc2OC1CC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C20H20N2O3/c23-19(22(15-10-11-15)13-14-6-2-1-3-7-14)12-18-20(24)21-16-8-4-5-9-17(16)25-18/h1-9,15,18H,10-13H2,(H,21,24)
InChIKeyQAQJAFSSHGKISD-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.97
Rot. Bonds5

About N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (PubChem CID 42943383) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
PubChem CID42943383
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESO=C1Nc2ccccc2OC1CC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C20H20N2O3/c23-19(22(15-10-11-15)13-14-6-2-1-3-7-14)12-18-20(24)21-16-8-4-5-9-17(16)25-18/h1-9,15,18H,10-13H2,(H,21,24)
InChIKeyQAQJAFSSHGKISD-UHFFFAOYSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9437962
N',N'-dibenzyl-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide
CID 9226903
2-[4-[[methyl-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]methyl]phenoxy]acetic acid
CID 120538087
(2R)-2-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 51409579
N-cyclohexyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 42917506
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 9159657
N-benzyl-N-cyclopropyl-2-piperidin-4-ylacetamide
CID 61030052
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 8948495
(2R,3R)-2-methyl-1-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]piperidine-3-carboxylic acid
CID 122114993
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The IUPAC name of N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (CID 42943383) is N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is O=C1Nc2ccccc2OC1CC(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The InChIKey is QAQJAFSSHGKISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(22(15-10-11-15)13-14-6-2-1-3-7-14)12-18-20(24)21-16-8-4-5-9-17(16)25-18/h1-9,15,18H,10-13H2,(H,21,24).
What are the key properties of N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is sourced from PubChem (CID 42943383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).