3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide

C25H27N3O4 — CID 134807111

IUPAC3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)NC(C)(CNc2ccccc2)CO3)cc1OC
InChIInChI=1S/C25H27N3O4/c1-25(15-26-18-7-5-4-6-8-18)16-32-21-11-9-17(13-20(21)28-25)24(29)27-19-10-12-22(30-2)23(14-19)31-3/h4-14,26,28H,15-16H2,1-3H3,(H,27,29)
InChIKeyFPBMHZSLLIDXPR-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.63
Rot. Bonds7

About 3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide

3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide (PubChem CID 134807111) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide
PubChem CID134807111
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)NC(C)(CNc2ccccc2)CO3)cc1OC
InChIInChI=1S/C25H27N3O4/c1-25(15-26-18-7-5-4-6-8-18)16-32-21-11-9-17(13-20(21)28-25)24(29)27-19-10-12-22(30-2)23(14-19)31-3/h4-14,26,28H,15-16H2,1-3H3,(H,27,29)
InChIKeyFPBMHZSLLIDXPR-UHFFFAOYSA-N
XLogP4.63
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)-3-methyl-3-(pyridin-3-yloxymethyl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide
CID 134809220
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)-3,4-dimethoxybenzamide
CID 40887498
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55618967
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
N-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1363715
3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide
CID 2960603
4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxyphenyl)benzamide
CID 10110195
4-anilino-N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 27537881

Frequently Asked Questions

What is the IUPAC name of 3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide (CID 134807111) is 3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)NC(C)(CNc2ccccc2)CO3)cc1OC.
What is the InChIKey of 3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide?
The InChIKey is FPBMHZSLLIDXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-25(15-26-18-7-5-4-6-8-18)16-32-21-11-9-17(13-20(21)28-25)24(29)27-19-10-12-22(30-2)23(14-19)31-3/h4-14,26,28H,15-16H2,1-3H3,(H,27,29).
What are the key properties of 3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide?
3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(anilinomethyl)-N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dihydro-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 134807111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).