N-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide

C22H25N3O3 — CID 3225002

IUPACN-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)C1Oc2ccccc2N(CC(=O)N(Cc2ccccn2)C2CC2)C1=O
InChIInChI=1S/C22H25N3O3/c1-15(2)21-22(27)25(18-8-3-4-9-19(18)28-21)14-20(26)24(17-10-11-17)13-16-7-5-6-12-23-16/h3-9,12,15,17,21H,10-11,13-14H2,1-2H3
InChIKeyBOBUPUPCMCZHGH-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.02
Rot. Bonds6

About N-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide

N-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 3225002) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID3225002
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)C1Oc2ccccc2N(CC(=O)N(Cc2ccccn2)C2CC2)C1=O
InChIInChI=1S/C22H25N3O3/c1-15(2)21-22(27)25(18-8-3-4-9-19(18)28-21)14-20(26)24(17-10-11-17)13-16-7-5-6-12-23-16/h3-9,12,15,17,21H,10-11,13-14H2,1-2H3
InChIKeyBOBUPUPCMCZHGH-UHFFFAOYSA-N
XLogP3.02
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 3225002) is N-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is CC(C)C1Oc2ccccc2N(CC(=O)N(Cc2ccccn2)C2CC2)C1=O.
What is the InChIKey of N-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is BOBUPUPCMCZHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(2)21-22(27)25(18-8-3-4-9-19(18)28-21)14-20(26)24(17-10-11-17)13-16-7-5-6-12-23-16/h3-9,12,15,17,21H,10-11,13-14H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
N-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 3225002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).