N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide

C16H22N2O4 — CID 3224997

IUPACN-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)C(C(C)C)Oc2ccccc21
InChIInChI=1S/C16H22N2O4/c1-11(2)15-16(20)18(10-14(19)17-8-9-21-3)12-6-4-5-7-13(12)22-15/h4-7,11,15H,8-10H2,1-3H3,(H,17,19)
InChIKeyXAPZQNAGQZQZNC-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.20
Rot. Bonds6

About N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide

N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3224997) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
PubChem CID3224997
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
SMILESCOCCNC(=O)CN1C(=O)C(C(C)C)Oc2ccccc21
InChIInChI=1S/C16H22N2O4/c1-11(2)15-16(20)18(10-14(19)17-8-9-21-3)12-6-4-5-7-13(12)22-15/h4-7,11,15H,8-10H2,1-3H3,(H,17,19)
InChIKeyXAPZQNAGQZQZNC-UHFFFAOYSA-N
XLogP1.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132070
N-(3-butoxypropyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 43037553
N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
CID 43816330
3-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid
CID 24738101
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-heptylacetamide
CID 92853475
N-[2-(methylamino)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119502456
N-[2-(ethylamino)ethyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide;hydrochloride
CID 119507397
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 18132156
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
N-(furan-2-ylmethyl)-2-[(2R)-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide
CID 7437525
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 7437474
N-(2-methoxyethyl)-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
CID 65361308

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide (CID 3224997) is N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide is COCCNC(=O)CN1C(=O)C(C(C)C)Oc2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is XAPZQNAGQZQZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(2)15-16(20)18(10-14(19)17-8-9-21-3)12-6-4-5-7-13(12)22-15/h4-7,11,15H,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 306.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3224997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).