N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C16H23N3O2 — CID 63207842

IUPACN-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C16H23N3O2/c1-18(10-11-19-8-4-5-9-19)16(20)15-12-17-13-6-2-3-7-14(13)21-15/h2-3,6-7,15,17H,4-5,8-12H2,1H3
InChIKeyJOBOCISOISZEKB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.41
Rot. Bonds4

About N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 63207842) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID63207842
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCN(CCN1CCCC1)C(=O)C1CNc2ccccc2O1
InChIInChI=1S/C16H23N3O2/c1-18(10-11-19-8-4-5-9-19)16(20)15-12-17-13-6-2-3-7-14(13)21-15/h2-3,6-7,15,17H,4-5,8-12H2,1H3
InChIKeyJOBOCISOISZEKB-UHFFFAOYSA-N
XLogP1.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 63207842) is N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is CN(CCN1CCCC1)C(=O)C1CNc2ccccc2O1.
What is the InChIKey of N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is JOBOCISOISZEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18(10-11-19-8-4-5-9-19)16(20)15-12-17-13-6-2-3-7-14(13)21-15/h2-3,6-7,15,17H,4-5,8-12H2,1H3.
What are the key properties of N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 63207842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).