(2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide

C19H28N2O3 — CID 92886750

IUPAC(2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
SMILESCCOCCCNC(=O)[C@@H](CC)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C19H28N2O3/c1-3-16(19(23)20-13-8-14-24-4-2)21-17-11-6-5-9-15(17)10-7-12-18(21)22/h5-6,9,11,16H,3-4,7-8,10,12-14H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyAFSJOOAMVLYGCY-MRXNPFEDSA-N
MW332.44 g/mol
LogP2.68
Rot. Bonds8

About (2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide

(2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide (PubChem CID 92886750) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
PubChem CID92886750
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
SMILESCCOCCCNC(=O)[C@@H](CC)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C19H28N2O3/c1-3-16(19(23)20-13-8-14-24-4-2)21-17-11-6-5-9-15(17)10-7-12-18(21)22/h5-6,9,11,16H,3-4,7-8,10,12-14H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyAFSJOOAMVLYGCY-MRXNPFEDSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(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
(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92864267
(2S)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92742616
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
N-(3-ethoxypropyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928819
(2S)-N-[3-(cyclopropylamino)-3-oxopropyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 100831171
(2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 92886787
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 92886794
N-[3-(3-fluorophenyl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 110211041

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide?
The IUPAC name of (2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide (CID 92886750) is (2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide?
The canonical SMILES for (2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide is CCOCCCNC(=O)[C@@H](CC)N1C(=O)CCCc2ccccc21.
What is the InChIKey of (2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide?
The InChIKey is AFSJOOAMVLYGCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-16(19(23)20-13-8-14-24-4-2)21-17-11-6-5-9-15(17)10-7-12-18(21)22/h5-6,9,11,16H,3-4,7-8,10,12-14H2,1-2H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide?
(2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide has a molecular weight of 332.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide is sourced from PubChem (CID 92886750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).