N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C19H20N2O5 — CID 55660720

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1OC
InChIInChI=1S/C19H20N2O5/c1-3-25-15-7-4-12(8-17(15)24-2)10-20-19(23)13-5-6-14-16(9-13)26-11-18(22)21-14/h4-9H,3,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAERIORDJFDDWEB-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.35
Rot. Bonds6

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 55660720) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID55660720
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCCOc1ccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1OC
InChIInChI=1S/C19H20N2O5/c1-3-25-15-7-4-12(8-17(15)24-2)10-20-19(23)13-5-6-14-16(9-13)26-11-18(22)21-14/h4-9H,3,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAERIORDJFDDWEB-UHFFFAOYSA-N
XLogP2.35
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110746360
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 55744827
N-[(3,4-diethoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 100617256
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
N-[(4-ethoxy-3-methoxyphenyl)methyl]-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349938
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
N-[(3-ethoxy-4-methoxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921254
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 847892
4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110738398
4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60982282

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 55660720) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is CCOc1ccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is AERIORDJFDDWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-3-25-15-7-4-12(8-17(15)24-2)10-20-19(23)13-5-6-14-16(9-13)26-11-18(22)21-14/h4-9H,3,10-11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 55660720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).