N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide

C22H18N2O4 — CID 59593489

IUPACN-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide
SMILESC=C1COc2ccc(C(=O)c3ccccc3C(=O)NCc3ccco3)cc2N1
InChIInChI=1S/C22H18N2O4/c1-14-13-28-20-9-8-15(11-19(20)24-14)21(25)17-6-2-3-7-18(17)22(26)23-12-16-5-4-10-27-16/h2-11,24H,1,12-13H2,(H,23,26)
InChIKeyBUQMVXXOWUNRPV-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.76
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide

N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide (PubChem CID 59593489) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide
PubChem CID59593489
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide
SMILESC=C1COc2ccc(C(=O)c3ccccc3C(=O)NCc3ccco3)cc2N1
InChIInChI=1S/C22H18N2O4/c1-14-13-28-20-9-8-15(11-19(20)24-14)21(25)17-6-2-3-7-18(17)22(26)23-12-16-5-4-10-27-16/h2-11,24H,1,12-13H2,(H,23,26)
InChIKeyBUQMVXXOWUNRPV-UHFFFAOYSA-N
XLogP3.76
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide 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-(furan-2-ylmethyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110763960
N-[(3,4-dimethylphenyl)methyl]-2-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)benzamide
CID 67044373
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2624130
N-(furan-2-ylmethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711822
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
N-(furan-2-ylmethyl)-3,3-dimethyl-2-oxo-1H-indole-6-carboxamide
CID 142502464
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(furan-2-ylmethylamino)ethanone
CID 82261175
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
1-N-(furan-2-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046573
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide (CID 59593489) is N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide is C=C1COc2ccc(C(=O)c3ccccc3C(=O)NCc3ccco3)cc2N1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide?
The InChIKey is BUQMVXXOWUNRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-14-13-28-20-9-8-15(11-19(20)24-14)21(25)17-6-2-3-7-18(17)22(26)23-12-16-5-4-10-27-16/h2-11,24H,1,12-13H2,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide?
N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide has a molecular weight of 374.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methylidene-4H-1,4-benzoxazine-6-carbonyl)benzamide is sourced from PubChem (CID 59593489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).