ethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate

C17H24N2O4 — CID 10519738

IUPACethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)=O)C1CCNc2cc(OC)ccc2C1
InChIInChI=1S/C17H24N2O4/c1-4-23-17(21)11-19(12(2)20)14-7-8-18-16-10-15(22-3)6-5-13(16)9-14/h5-6,10,14,18H,4,7-9,11H2,1-3H3
InChIKeyJCKXQKOLAIGWDI-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.83
Rot. Bonds5

About ethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate

ethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate (PubChem CID 10519738) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate
PubChem CID10519738
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)=O)C1CCNc2cc(OC)ccc2C1
InChIInChI=1S/C17H24N2O4/c1-4-23-17(21)11-19(12(2)20)14-7-8-18-16-10-15(22-3)6-5-13(16)9-14/h5-6,10,14,18H,4,7-9,11H2,1-3H3
InChIKeyJCKXQKOLAIGWDI-UHFFFAOYSA-N
XLogP1.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 45139976
ethyl (2R)-7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 129389823
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CID 107314031
ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate
CID 62004608
ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
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2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511160
ethyl 4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate (CID 10519738) is ethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate is CCOC(=O)CN(C(C)=O)C1CCNc2cc(OC)ccc2C1.
What is the InChIKey of ethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate?
The InChIKey is JCKXQKOLAIGWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-23-17(21)11-19(12(2)20)14-7-8-18-16-10-15(22-3)6-5-13(16)9-14/h5-6,10,14,18H,4,7-9,11H2,1-3H3.
What are the key properties of ethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate?
ethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate has a molecular weight of 320.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[acetyl-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)amino]acetate is sourced from PubChem (CID 10519738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).