ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide

C14H22N2O3 — CID 90710396

IUPACethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide
SMILESCC.COc1cccc2c1NC(CNC(C)=O)CO2
InChIInChI=1S/C12H16N2O3.C2H6/c1-8(15)13-6-9-7-17-11-5-3-4-10(16-2)12(11)14-9;1-2/h3-5,9,14H,6-7H2,1-2H3,(H,13,15);1-2H3
InChIKeyDCSYVSWPPLIZTG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.03
Rot. Bonds3

About ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide

ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide (PubChem CID 90710396) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide
PubChem CID90710396
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide
SMILESCC.COc1cccc2c1NC(CNC(C)=O)CO2
InChIInChI=1S/C12H16N2O3.C2H6/c1-8(15)13-6-9-7-17-11-5-3-4-10(16-2)12(11)14-9;1-2/h3-5,9,14H,6-7H2,1-2H3,(H,13,15);1-2H3
InChIKeyDCSYVSWPPLIZTG-UHFFFAOYSA-N
XLogP2.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 59185838
5-methoxy-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid
CID 117110701
2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95073231
N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
N-[(2-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699663
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3,4-trimethoxybenzamide
CID 3143895
(2S)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(2-methoxyphenoxy)propanamide
CID 100581046
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129462509
(E)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 8004691
6-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 114765120
methyl 5-bromo-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylate
CID 117110697
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide?
The IUPAC name of ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide (CID 90710396) is ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide.
What is the SMILES notation for ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide?
The canonical SMILES for ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide is CC.COc1cccc2c1NC(CNC(C)=O)CO2.
What is the InChIKey of ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide?
The InChIKey is DCSYVSWPPLIZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3.C2H6/c1-8(15)13-6-9-7-17-11-5-3-4-10(16-2)12(11)14-9;1-2/h3-5,9,14H,6-7H2,1-2H3,(H,13,15);1-2H3.
What are the key properties of ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide?
ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide is sourced from PubChem (CID 90710396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).