N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C17H18N2O4 — CID 22521341

IUPACN-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CCOc3ccccc32)cc1OC
InChIInChI=1S/C17H18N2O4/c1-21-15-8-7-12(11-16(15)22-2)18-17(20)19-9-10-23-14-6-4-3-5-13(14)19/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyKJURZBIHNNOMAP-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.13
Rot. Bonds3

About N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 22521341) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID22521341
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CCOc3ccccc32)cc1OC
InChIInChI=1S/C17H18N2O4/c1-21-15-8-7-12(11-16(15)22-2)18-17(20)19-9-10-23-14-6-4-3-5-13(14)19/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyKJURZBIHNNOMAP-UHFFFAOYSA-N
XLogP3.13
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-ethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521575
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 56567411
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethoxyphenyl)propan-1-one
CID 32612143
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 67087721
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 15425916
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521365
2,3-dihydro-1,4-benzoxazin-4-yl-(4-ethoxy-3-methoxyphenyl)methanone
CID 43074269
4-[[4-[(3,4-dimethoxyphenyl)carbamoyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]amino]benzoic acid
CID 58346010
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113114068
2-amino-N-(3,4-dimethoxyphenyl)-4,5-dihydroimidazole-1-carboxamide;hydrate;hydrochloride
CID 13458499
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-(2-methoxyphenoxy)acetamide
CID 110639921

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 22521341) is N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is COc1ccc(NC(=O)N2CCOc3ccccc32)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is KJURZBIHNNOMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-21-15-8-7-12(11-16(15)22-2)18-17(20)19-9-10-23-14-6-4-3-5-13(14)19/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 22521341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).