N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C15H20N2O4 — CID 108784511

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESO=C1CCCc2cc(C(=O)NCCOCCO)ccc2N1
InChIInChI=1S/C15H20N2O4/c18-7-9-21-8-6-16-15(20)12-4-5-13-11(10-12)2-1-3-14(19)17-13/h4-5,10,18H,1-3,6-9H2,(H,16,20)(H,17,19)
InChIKeyIIXNMRVGAJQQPF-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.70
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 108784511) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
PubChem CID108784511
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESO=C1CCCc2cc(C(=O)NCCOCCO)ccc2N1
InChIInChI=1S/C15H20N2O4/c18-7-9-21-8-6-16-15(20)12-4-5-13-11(10-12)2-1-3-14(19)17-13/h4-5,10,18H,1-3,6-9H2,(H,16,20)(H,17,19)
InChIKeyIIXNMRVGAJQQPF-UHFFFAOYSA-N
XLogP0.70
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797707
N-[2-(2-hydroxyethoxy)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 55024103
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784577
N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784514
N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784488
4-methoxy-N-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxy]ethyl]benzamide
CID 172880287
N-[3-(2-hydroxyethoxy)propyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 106310514
N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 18765684
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485923
N-cyclopentyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39896851
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
dimethyl 5-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzene-1,3-dicarboxylate
CID 108784566

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 108784511) is N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is O=C1CCCc2cc(C(=O)NCCOCCO)ccc2N1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The InChIKey is IIXNMRVGAJQQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-7-9-21-8-6-16-15(20)12-4-5-13-11(10-12)2-1-3-14(19)17-13/h4-5,10,18H,1-3,6-9H2,(H,16,20)(H,17,19).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 108784511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).