N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide

C16H22N2O2 — CID 78004870

IUPACN-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide
SMILESCN1CCc2ccc(NC(=O)C3CCOC3)cc2CC1
InChIInChI=1S/C16H22N2O2/c1-18-7-4-12-2-3-15(10-13(12)5-8-18)17-16(19)14-6-9-20-11-14/h2-3,10,14H,4-9,11H2,1H3,(H,17,19)
InChIKeyHLSTURBRCBRUKJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.69
Rot. Bonds2

About N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide

N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide (PubChem CID 78004870) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide
PubChem CID78004870
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide
SMILESCN1CCc2ccc(NC(=O)C3CCOC3)cc2CC1
InChIInChI=1S/C16H22N2O2/c1-18-7-4-12-2-3-15(10-13(12)5-8-18)17-16(19)14-6-9-20-11-14/h2-3,10,14H,4-9,11H2,1H3,(H,17,19)
InChIKeyHLSTURBRCBRUKJ-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-6-yl)oxolane-3-carboxamide
CID 55138702
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide
CID 63901725
2-fluoro-5-(oxolane-3-carbonylamino)benzoic acid
CID 61270294
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-(1,3-benzodioxol-5-yl)oxolane-3-carboxamide
CID 110863146
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide
CID 112736097
N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]oxolane-3-carboxamide
CID 71812005
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-(3-cyano-4-piperazin-1-ylphenyl)oxolane-3-carboxamide
CID 57336447

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide?
The IUPAC name of N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide (CID 78004870) is N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide is CN1CCc2ccc(NC(=O)C3CCOC3)cc2CC1.
What is the InChIKey of N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide?
The InChIKey is HLSTURBRCBRUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18-7-4-12-2-3-15(10-13(12)5-8-18)17-16(19)14-6-9-20-11-14/h2-3,10,14H,4-9,11H2,1H3,(H,17,19).
What are the key properties of N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide?
N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxolane-3-carboxamide is sourced from PubChem (CID 78004870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).