N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide

C24H23N3O3 — CID 46375103

IUPACN-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESO=C(CCC(=O)N1CC(c2ccccc2)Oc2cccnc21)NCc1ccccc1
InChIInChI=1S/C24H23N3O3/c28-22(26-16-18-8-3-1-4-9-18)13-14-23(29)27-17-21(19-10-5-2-6-11-19)30-20-12-7-15-25-24(20)27/h1-12,15,21H,13-14,16-17H2,(H,26,28)
InChIKeyRRTDRFHBEDAJBU-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.64
Rot. Bonds6

About N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide

N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide (PubChem CID 46375103) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide
PubChem CID46375103
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide
SMILESO=C(CCC(=O)N1CC(c2ccccc2)Oc2cccnc21)NCc1ccccc1
InChIInChI=1S/C24H23N3O3/c28-22(26-16-18-8-3-1-4-9-18)13-14-23(29)27-17-21(19-10-5-2-6-11-19)30-20-12-7-15-25-24(20)27/h1-12,15,21H,13-14,16-17H2,(H,26,28)
InChIKeyRRTDRFHBEDAJBU-UHFFFAOYSA-N
XLogP3.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 13212014
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 22553096
N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 30458417
4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide
CID 22512885
2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397212
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]butanamide
CID 56567681
N'-benzylbutanediamide
CID 4682951
4-[(2S)-3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide
CID 92764981
4-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]butanamide
CID 22553205
4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 5181010
N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 22553113
N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide
CID 20929035

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The IUPAC name of N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide (CID 46375103) is N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide.
What is the SMILES notation for N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The canonical SMILES for N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide is O=C(CCC(=O)N1CC(c2ccccc2)Oc2cccnc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
The InChIKey is RRTDRFHBEDAJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-22(26-16-18-8-3-1-4-9-18)13-14-23(29)27-17-21(19-10-5-2-6-11-19)30-20-12-7-15-25-24(20)27/h1-12,15,21H,13-14,16-17H2,(H,26,28).
What are the key properties of N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide?
N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide has a molecular weight of 401.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-4-(2-phenyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl)butanamide is sourced from PubChem (CID 46375103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).