2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C25H26N2O3 — CID 53077827

IUPAC2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CC1COc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-29-23-13-7-5-11-20(23)16-26-25(28)15-21-18-30-24-14-8-6-12-22(24)27(21)17-19-9-3-2-4-10-19/h2-14,21H,15-18H2,1H3,(H,26,28)
InChIKeyKDTCNOCJBYTGRH-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.17
Rot. Bonds7

About 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 53077827) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID53077827
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CC1COc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C25H26N2O3/c1-29-23-13-7-5-11-20(23)16-26-25(28)15-21-18-30-24-14-8-6-12-22(24)27(21)17-19-9-3-2-4-10-19/h2-14,21H,15-18H2,1H3,(H,26,28)
InChIKeyKDTCNOCJBYTGRH-UHFFFAOYSA-N
XLogP4.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 53034093
N-(2-methoxyethyl)-2-[(3S)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetamide
CID 95996156
2-(2,3-dihydro-1-benzofuran-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110753758
2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 97043879
2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-cyclooctylacetamide
CID 53034029
2-[(3R)-4-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-N-prop-2-enylacetamide
CID 95055991
N-benzyl-2-(4-benzyl-5,6-dioxomorpholin-3-yl)acetamide
CID 4913572
2-(6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53077894
2-[(3R)-4-benzyl-7-methyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cyclopentylacetamide
CID 95055889
N-benzyl-2-(7-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 53034102
2-[(3S)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92746946
2-(4-benzyl-7-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 53034079

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 53077827) is 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CC1COc2ccccc2N1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is KDTCNOCJBYTGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-29-23-13-7-5-11-20(23)16-26-25(28)15-21-18-30-24-14-8-6-12-22(24)27(21)17-19-9-3-2-4-10-19/h2-14,21H,15-18H2,1H3,(H,26,28).
What are the key properties of 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 402.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53077827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).