N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide

C17H18N2O4 — CID 163338735

IUPACN-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
SMILESCc1ccc2c(c1)NC(=O)C(CC(=O)NCc1ccco1)CO2
InChIInChI=1S/C17H18N2O4/c1-11-4-5-15-14(7-11)19-17(21)12(10-23-15)8-16(20)18-9-13-3-2-6-22-13/h2-7,12H,8-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyNCEOHRQRNAKSNY-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.24
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide

N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide (PubChem CID 163338735) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
PubChem CID163338735
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
SMILESCc1ccc2c(c1)NC(=O)C(CC(=O)NCc1ccco1)CO2
InChIInChI=1S/C17H18N2O4/c1-11-4-5-15-14(7-11)19-17(21)12(10-23-15)8-16(20)18-9-13-3-2-6-22-13/h2-7,12H,8-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyNCEOHRQRNAKSNY-UHFFFAOYSA-N
XLogP2.24
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
2-(7-chloro-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 50806706
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(furan-2-ylmethyl)propanamide
CID 4695006
N-(furan-2-ylmethyl)-2-[(2R)-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide
CID 7437525
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide
CID 163339000
N-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110763960
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
1-(furan-2-ylmethyl)-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea
CID 8563698
N-(furan-2-ylmethyl)-1-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53068494
2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 29136185
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 17493187
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide (CID 163338735) is N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide is Cc1ccc2c(c1)NC(=O)C(CC(=O)NCc1ccco1)CO2.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide?
The InChIKey is NCEOHRQRNAKSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-4-5-15-14(7-11)19-17(21)12(10-23-15)8-16(20)18-9-13-3-2-6-22-13/h2-7,12H,8-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide?
N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide has a molecular weight of 314.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)acetamide is sourced from PubChem (CID 163338735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).