N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide

C21H25N3O4 — CID 20929085

IUPACN-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide
SMILESCCC(C)NC(=O)CCC(=O)N1Cc2cccc(OC)c2Oc2ncccc21
InChIInChI=1S/C21H25N3O4/c1-4-14(2)23-18(25)10-11-19(26)24-13-15-7-5-9-17(27-3)20(15)28-21-16(24)8-6-12-22-21/h5-9,12,14H,4,10-11,13H2,1-3H3,(H,23,25)
InChIKeyQWUNMNJZXYMFKS-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.42
Rot. Bonds6

About N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide

N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide (PubChem CID 20929085) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide
PubChem CID20929085
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide
SMILESCCC(C)NC(=O)CCC(=O)N1Cc2cccc(OC)c2Oc2ncccc21
InChIInChI=1S/C21H25N3O4/c1-4-14(2)23-18(25)10-11-19(26)24-13-15-7-5-9-17(27-3)20(15)28-21-16(24)8-6-12-22-21/h5-9,12,14H,4,10-11,13H2,1-3H3,(H,23,25)
InChIKeyQWUNMNJZXYMFKS-UHFFFAOYSA-N
XLogP3.42
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide with MolForge

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide
CID 20929105
N-[(2,3-dimethoxyphenyl)methyl]-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide
CID 20929064
5-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-N-(3-methylbutyl)thiophene-2-carboxamide
CID 20940391
N-[(2-methylphenyl)methyl]-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide
CID 20929069
N-butan-2-yl-4-oxo-4-(4H-pyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 46378033
N-[(2S)-butan-2-yl]-3-(2,6-dimethoxyphenyl)propanamide
CID 100789348
N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide
CID 20929035
N-cycloheptyl-5-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)thiophene-2-carboxamide
CID 20940382
N-[(2R)-butan-2-yl]-2-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 99838420
2-[(2-bromo-3-pyridinyl)oxy]-N-butan-2-ylacetamide
CID 47473943
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide
CID 56566731
N-[(2S)-butan-2-yl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093420

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide?
The IUPAC name of N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide (CID 20929085) is N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide.
What is the SMILES notation for N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide?
The canonical SMILES for N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide is CCC(C)NC(=O)CCC(=O)N1Cc2cccc(OC)c2Oc2ncccc21.
What is the InChIKey of N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide?
The InChIKey is QWUNMNJZXYMFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-14(2)23-18(25)10-11-19(26)24-13-15-7-5-9-17(27-3)20(15)28-21-16(24)8-6-12-22-21/h5-9,12,14H,4,10-11,13H2,1-3H3,(H,23,25).
What are the key properties of N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide?
N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide has a molecular weight of 383.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide is sourced from PubChem (CID 20929085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).