N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

C19H22N2O3 — CID 134805414

IUPACN-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)OCCN(c1ccccc1)C2
InChIInChI=1S/C19H22N2O3/c1-23-11-9-20-19(22)15-7-8-16-14-21(10-12-24-18(16)13-15)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,20,22)
InChIKeyWVRVHOUXBCYYCO-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.46
Rot. Bonds5

About N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (PubChem CID 134805414) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
PubChem CID134805414
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)OCCN(c1ccccc1)C2
InChIInChI=1S/C19H22N2O3/c1-23-11-9-20-19(22)15-7-8-16-14-21(10-12-24-18(16)13-15)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,20,22)
InChIKeyWVRVHOUXBCYYCO-UHFFFAOYSA-N
XLogP2.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxylate
CID 122438130
4-(3-fluorophenyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 138555750
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzoic acid
CID 63193098
3-morpholin-4-yl-N-(2-phenoxyethyl)benzamide
CID 117088247
3-amino-4-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)benzamide
CID 100633265
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 42266252
N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 53016747
N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 172715872
N-hydroxy-4-(3-phenylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440186
4-benzyl-N-(2-methoxyethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023793
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052638
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 38442601

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (CID 134805414) is N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is COCCNC(=O)c1ccc2c(c1)OCCN(c1ccccc1)C2.
What is the InChIKey of N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The InChIKey is WVRVHOUXBCYYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-11-9-20-19(22)15-7-8-16-14-21(10-12-24-18(16)13-15)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3,(H,20,22).
What are the key properties of N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is sourced from PubChem (CID 134805414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).