2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide

C15H21N3O3 — CID 82345461

IUPAC2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESNc1cccc2c1N(CC(=O)NCC1CCCO1)CCO2
InChIInChI=1S/C15H21N3O3/c16-12-4-1-5-13-15(12)18(6-8-21-13)10-14(19)17-9-11-3-2-7-20-11/h1,4-5,11H,2-3,6-10,16H2,(H,17,19)
InChIKeyABEAZWCVEVOQGO-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.76
Rot. Bonds4

About 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 82345461) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID82345461
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESNc1cccc2c1N(CC(=O)NCC1CCCO1)CCO2
InChIInChI=1S/C15H21N3O3/c16-12-4-1-5-13-15(12)18(6-8-21-13)10-14(19)17-9-11-3-2-7-20-11/h1,4-5,11H,2-3,6-10,16H2,(H,17,19)
InChIKeyABEAZWCVEVOQGO-UHFFFAOYSA-N
XLogP0.76
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 75431188
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 61014916
2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 82025146
2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
CID 55014268
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 6927860
2-[2-(2-fluorophenyl)azetidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71862821
2-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124778955
2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97077481
2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78835198
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 82345461) is 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is Nc1cccc2c1N(CC(=O)NCC1CCCO1)CCO2.
What is the InChIKey of 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ABEAZWCVEVOQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-12-4-1-5-13-15(12)18(6-8-21-13)10-14(19)17-9-11-3-2-7-20-11/h1,4-5,11H,2-3,6-10,16H2,(H,17,19).
What are the key properties of 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 82345461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).