N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C21H23N3O3 — CID 108784537

IUPACN-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESO=C1CCCc2cc(C(=O)Nc3ccccc3N3CCOCC3)ccc2N1
InChIInChI=1S/C21H23N3O3/c25-20-7-3-4-15-14-16(8-9-17(15)22-20)21(26)23-18-5-1-2-6-19(18)24-10-12-27-13-11-24/h1-2,5-6,8-9,14H,3-4,7,10-13H2,(H,22,25)(H,23,26)
InChIKeyHDQRGDQUTVFHMR-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.05
Rot. Bonds3

About N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 108784537) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
PubChem CID108784537
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESO=C1CCCc2cc(C(=O)Nc3ccccc3N3CCOCC3)ccc2N1
InChIInChI=1S/C21H23N3O3/c25-20-7-3-4-15-14-16(8-9-17(15)22-20)21(26)23-18-5-1-2-6-19(18)24-10-12-27-13-11-24/h1-2,5-6,8-9,14H,3-4,7,10-13H2,(H,22,25)(H,23,26)
InChIKeyHDQRGDQUTVFHMR-UHFFFAOYSA-N
XLogP3.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzoate
CID 108784479
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39889362
2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide
CID 110695108
1-acetyl-N-(2-morpholin-4-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265668
4-oxo-N-(2-pyrrolidin-1-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 30583427
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9459810
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
N-(2-carbamoylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761862
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 108784537) is N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is O=C1CCCc2cc(C(=O)Nc3ccccc3N3CCOCC3)ccc2N1.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The InChIKey is HDQRGDQUTVFHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20-7-3-4-15-14-16(8-9-17(15)22-20)21(26)23-18-5-1-2-6-19(18)24-10-12-27-13-11-24/h1-2,5-6,8-9,14H,3-4,7,10-13H2,(H,22,25)(H,23,26).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 108784537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).