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

C20H28N2O3 — CID 3224995

IUPACN-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
SMILESCC(C)C1Oc2ccccc2N(CC(=O)N(C)C2CCCCC2)C1=O
InChIInChI=1S/C20H28N2O3/c1-14(2)19-20(24)22(16-11-7-8-12-17(16)25-19)13-18(23)21(3)15-9-5-4-6-10-15/h7-8,11-12,14-15,19H,4-6,9-10,13H2,1-3H3
InChIKeyXNNHCZQLMLDQKB-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.23
Rot. Bonds4

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

N-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3224995) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
PubChem CID3224995
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
SMILESCC(C)C1Oc2ccccc2N(CC(=O)N(C)C2CCCCC2)C1=O
InChIInChI=1S/C20H28N2O3/c1-14(2)19-20(24)22(16-11-7-8-12-17(16)25-19)13-18(23)21(3)15-9-5-4-6-10-15/h7-8,11-12,14-15,19H,4-6,9-10,13H2,1-3H3
InChIKeyXNNHCZQLMLDQKB-UHFFFAOYSA-N
XLogP3.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide (CID 3224995) is N-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide is CC(C)C1Oc2ccccc2N(CC(=O)N(C)C2CCCCC2)C1=O.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is XNNHCZQLMLDQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14(2)19-20(24)22(16-11-7-8-12-17(16)25-19)13-18(23)21(3)15-9-5-4-6-10-15/h7-8,11-12,14-15,19H,4-6,9-10,13H2,1-3H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide?
N-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 344.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3224995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).