N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide

C15H21N3O2 — CID 69182135

IUPACN-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCNCC2)N1CCOCC1
InChIInChI=1S/C15H21N3O2/c19-15(18-7-9-20-10-8-18)17-14-2-1-12-3-5-16-6-4-13(12)11-14/h1-2,11,16H,3-10H2,(H,17,19)
InChIKeyPBJFEHDKUBPHAY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.24
Rot. Bonds1

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

N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide (PubChem CID 69182135) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide
PubChem CID69182135
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCNCC2)N1CCOCC1
InChIInChI=1S/C15H21N3O2/c19-15(18-7-9-20-10-8-18)17-14-2-1-12-3-5-16-6-4-13(12)11-14/h1-2,11,16H,3-10H2,(H,17,19)
InChIKeyPBJFEHDKUBPHAY-UHFFFAOYSA-N
XLogP1.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide
CID 79163467
N-(4-cyanophenyl)morpholine-4-carboxamide
CID 4984315
N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
CID 24664341
N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride
CID 67239714
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
N-[4-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 47033018
1-chloro-4-isocyanatobenzene;N-(4-chlorophenyl)morpholine-4-carboxamide;morpholine
CID 157402715
N-(3,5-dihydroxyphenyl)morpholine-4-carboxamide
CID 108895379
N-(4-chlorophenyl)-1,3-oxazolidine-3-carboxamide
CID 110749558
6-tert-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 166237499

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide?
The IUPAC name of N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide (CID 69182135) is N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide is O=C(Nc1ccc2c(c1)CCNCC2)N1CCOCC1.
What is the InChIKey of N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide?
The InChIKey is PBJFEHDKUBPHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(18-7-9-20-10-8-18)17-14-2-1-12-3-5-16-6-4-13(12)11-14/h1-2,11,16H,3-10H2,(H,17,19).
What are the key properties of N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide?
N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)morpholine-4-carboxamide is sourced from PubChem (CID 69182135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).