(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide

C19H22N2O3 — CID 92864267

IUPAC(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
SMILESCC[C@@H](C(=O)NCc1ccco1)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C19H22N2O3/c1-2-16(19(23)20-13-15-9-6-12-24-15)21-17-10-4-3-7-14(17)8-5-11-18(21)22/h3-4,6-7,9-10,12,16H,2,5,8,11,13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyYZFLDSODSXFOSZ-INIZCTEOSA-N
MW326.40 g/mol
LogP3.04
Rot. Bonds5

About (2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide

(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide (PubChem CID 92864267) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
PubChem CID92864267
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
SMILESCC[C@@H](C(=O)NCc1ccco1)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C19H22N2O3/c1-2-16(19(23)20-13-15-9-6-12-24-15)21-17-10-4-3-7-14(17)8-5-11-18(21)22/h3-4,6-7,9-10,12,16H,2,5,8,11,13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyYZFLDSODSXFOSZ-INIZCTEOSA-N
XLogP3.04
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 100831120
(2S)-N-benzyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92742614
N-[(2-chlorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 50758024
(2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92886750
1-[1-(azepan-1-yl)-1-oxobutan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 46276095
1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758044
N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 50758151
2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide
CID 42851579
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(furan-2-ylmethyl)butanamide
CID 45148077
N-(furan-2-ylmethyl)-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 51096389
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 50758149

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide (CID 92864267) is (2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide is CC[C@@H](C(=O)NCc1ccco1)N1C(=O)CCCc2ccccc21.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide?
The InChIKey is YZFLDSODSXFOSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-16(19(23)20-13-15-9-6-12-24-15)21-17-10-4-3-7-14(17)8-5-11-18(21)22/h3-4,6-7,9-10,12,16H,2,5,8,11,13H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide?
(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide has a molecular weight of 326.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide is sourced from PubChem (CID 92864267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).