4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide

C24H23N3O4 — CID 56562616

IUPAC4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide
SMILESO=C(CCC(=O)N1CCOc2ccccc21)Nc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C24H23N3O4/c28-22(12-13-24(30)27-15-16-31-21-6-2-1-5-20(21)27)25-19-10-8-18(9-11-19)17-26-14-4-3-7-23(26)29/h1-11,14H,12-13,15-17H2,(H,25,28)
InChIKeySEPTUUOUMRMNQW-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.04
Rot. Bonds6

About 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide

4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide (PubChem CID 56562616) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide
PubChem CID56562616
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide
SMILESO=C(CCC(=O)N1CCOc2ccccc21)Nc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C24H23N3O4/c28-22(12-13-24(30)27-15-16-31-21-6-2-1-5-20(21)27)25-19-10-8-18(9-11-19)17-26-14-4-3-7-23(26)29/h1-11,14H,12-13,15-17H2,(H,25,28)
InChIKeySEPTUUOUMRMNQW-UHFFFAOYSA-N
XLogP3.04
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide 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-[3,5-bis(trifluoromethyl)phenyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 56559614
methyl 2-[[4-[[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanoyl]amino]benzoyl]amino]acetate
CID 56560097
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-oxobutanamide
CID 56567481
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]-4-oxobutanamide
CID 97237050
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(1,2-diphenylethyl)-4-oxobutanamide
CID 56563124
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxobutanamide
CID 56559579
N-(2-acetamido-5-chlorophenyl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 56562070
2-chloro-4-[[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 56563066
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 56782570
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2,2-dimethyl-1-phenylpropyl)-4-oxobutanamide
CID 56582713
2-(3,4-dichlorophenyl)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55767282
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(4-methylsulfonylphenyl)methyl]-4-oxobutanamide
CID 56567258

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide (CID 56562616) is 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide is O=C(CCC(=O)N1CCOc2ccccc21)Nc1ccc(Cn2ccccc2=O)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide?
The InChIKey is SEPTUUOUMRMNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-22(12-13-24(30)27-15-16-31-21-6-2-1-5-20(21)27)25-19-10-8-18(9-11-19)17-26-14-4-3-7-23(26)29/h1-11,14H,12-13,15-17H2,(H,25,28).
What are the key properties of 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide?
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide has a molecular weight of 417.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]butanamide is sourced from PubChem (CID 56562616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).