(2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C23H22N2O4 — CID 30991618

IUPAC(2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(=O)N1C[C@@H](C(=O)N(Cc2ccco2)c2ccc(C)cc2)Oc2ccccc21
InChIInChI=1S/C23H22N2O4/c1-16-9-11-18(12-10-16)25(14-19-6-5-13-28-19)23(27)22-15-24(17(2)26)20-7-3-4-8-21(20)29-22/h3-13,22H,14-15H2,1-2H3/t22-/m0/s1
InChIKeyBZHCXIBHUWVBMC-QFIPXVFZSA-N
MW390.44 g/mol
LogP3.94
Rot. Bonds4

About (2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

(2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 30991618) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID30991618
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(=O)N1C[C@@H](C(=O)N(Cc2ccco2)c2ccc(C)cc2)Oc2ccccc21
InChIInChI=1S/C23H22N2O4/c1-16-9-11-18(12-10-16)25(14-19-6-5-13-28-19)23(27)22-15-24(17(2)26)20-7-3-4-8-21(20)29-22/h3-13,22H,14-15H2,1-2H3/t22-/m0/s1
InChIKeyBZHCXIBHUWVBMC-QFIPXVFZSA-N
XLogP3.94
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-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-(furan-2-ylmethyl)-N-(4-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 75853603
ethyl 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 13425083
(2R)-4-[2-[ethyl(furan-2-ylmethyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 37464777
2-(4-methylphenoxy)ethyl (2S)-4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 30372759
1-(benzenesulfonyl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 55668767
N-(furan-2-ylmethyl)-N-(4-methylphenyl)butanamide
CID 60528113
4-acetyl-N-benzyl-N-butan-2-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43029801
3,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
CID 18226162
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide
CID 78904271
4-acetyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18268886
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55756275
(2R)-N-(3-fluorophenyl)-N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 52534875

Frequently Asked Questions

What is the IUPAC name of (2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of (2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 30991618) is (2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for (2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for (2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CC(=O)N1C[C@@H](C(=O)N(Cc2ccco2)c2ccc(C)cc2)Oc2ccccc21.
What is the InChIKey of (2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is BZHCXIBHUWVBMC-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-16-9-11-18(12-10-16)25(14-19-6-5-13-28-19)23(27)22-15-24(17(2)26)20-7-3-4-8-21(20)29-22/h3-13,22H,14-15H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
(2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-acetyl-N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 30991618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).