N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide

C21H19N3O4 — CID 20929035

IUPACN-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide
SMILESO=C(CCC(=O)N1Cc2ccccc2Oc2ncccc21)NCc1ccco1
InChIInChI=1S/C21H19N3O4/c25-19(23-13-16-6-4-12-27-16)9-10-20(26)24-14-15-5-1-2-8-18(15)28-21-17(24)7-3-11-22-21/h1-8,11-12H,9-10,13-14H2,(H,23,25)
InChIKeyRPBMWRUJEZDNTA-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.41
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide

N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide (PubChem CID 20929035) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide
PubChem CID20929035
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide
SMILESO=C(CCC(=O)N1Cc2ccccc2Oc2ncccc21)NCc1ccco1
InChIInChI=1S/C21H19N3O4/c25-19(23-13-16-6-4-12-27-16)9-10-20(26)24-14-15-5-1-2-8-18(15)28-21-17(24)7-3-11-22-21/h1-8,11-12H,9-10,13-14H2,(H,23,25)
InChIKeyRPBMWRUJEZDNTA-UHFFFAOYSA-N
XLogP3.41
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylphenyl)methyl]-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide
CID 20929069
N-[(2,3-dimethoxyphenyl)methyl]-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide
CID 20929064
4-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 6625516
N-[(2-fluorophenyl)methyl]-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide
CID 20929105
N-(furan-2-ylmethyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 2145420
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 3980124
N-butan-2-yl-4-(10-methoxy-6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)-4-oxobutanamide
CID 20929085
N-(furan-2-ylmethyl)-2-[(6S)-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]acetamide
CID 95791909
N-(furan-2-ylmethyl)-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide
CID 129384304
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide (CID 20929035) is N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide is O=C(CCC(=O)N1Cc2ccccc2Oc2ncccc21)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide?
The InChIKey is RPBMWRUJEZDNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-19(23-13-16-6-4-12-27-16)9-10-20(26)24-14-15-5-1-2-8-18(15)28-21-17(24)7-3-11-22-21/h1-8,11-12H,9-10,13-14H2,(H,23,25).
What are the key properties of N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide?
N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide has a molecular weight of 377.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-oxo-4-(6H-pyrido[2,3-b][1,4]benzoxazepin-5-yl)butanamide is sourced from PubChem (CID 20929035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).