2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide

C17H22N2O3 — CID 46276063

IUPAC2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CCCc2ccccc21)NCC1CCCO1
InChIInChI=1S/C17H22N2O3/c20-16(18-11-14-7-4-10-22-14)12-19-15-8-2-1-5-13(15)6-3-9-17(19)21/h1-2,5,8,14H,3-4,6-7,9-12H2,(H,18,20)
InChIKeySKHYXESAAJEKTG-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.65
Rot. Bonds4

About 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 46276063) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID46276063
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CCCc2ccccc21)NCC1CCCO1
InChIInChI=1S/C17H22N2O3/c20-16(18-11-14-7-4-10-22-14)12-19-15-8-2-1-5-13(15)6-3-9-17(19)21/h1-2,5,8,14H,3-4,6-7,9-12H2,(H,18,20)
InChIKeySKHYXESAAJEKTG-UHFFFAOYSA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-morpholin-4-ylsulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95090552
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943685
3-oxo-4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-phenyl-2H-quinoxaline-1-carboxamide
CID 53090957
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-prop-2-enylacetamide
CID 100831100
N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7236802
2-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 6542601
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92509614
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 6544541
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 50758027
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8659450
N-(oxolan-2-ylmethyl)-2-(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 46282340

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 46276063) is 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1C(=O)CCCc2ccccc21)NCC1CCCO1.
What is the InChIKey of 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is SKHYXESAAJEKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16(18-11-14-7-4-10-22-14)12-19-15-8-2-1-5-13(15)6-3-9-17(19)21/h1-2,5,8,14H,3-4,6-7,9-12H2,(H,18,20).
What are the key properties of 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 46276063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).