ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate

C15H20N2O3 — CID 103313878

IUPACethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate
SMILESCCOC(=O)CN(C)C1CCc2ccccc2NC1=O
InChIInChI=1S/C15H20N2O3/c1-3-20-14(18)10-17(2)13-9-8-11-6-4-5-7-12(11)16-15(13)19/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyIKSKALPAWHYGBI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.43
Rot. Bonds4

About ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate

ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate (PubChem CID 103313878) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate
PubChem CID103313878
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate
SMILESCCOC(=O)CN(C)C1CCc2ccccc2NC1=O
InChIInChI=1S/C15H20N2O3/c1-3-20-14(18)10-17(2)13-9-8-11-6-4-5-7-12(11)16-15(13)19/h4-7,13H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyIKSKALPAWHYGBI-UHFFFAOYSA-N
XLogP1.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propan-2-ylamino]acetate
CID 103313874
ethyl 2-amino-2-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)acetate
CID 70123988
2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)-propylamino]ethanethioamide
CID 103313615
3-[azetidin-3-yl(ethyl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313807
cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 100901406
3-[methyl-[3-(methylamino)propyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313816
3-[ethyl(piperidin-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313777
N,N-dimethyl-2-[1-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)piperidin-4-yl]acetamide
CID 119048757
ethyl (2S)-2-[[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]amino]-4-phenylbutanoate
CID 11772976
3-[3-(aminomethyl)pentan-3-yloxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103312971
ethyl 2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetate
CID 76894982
1-ethyl-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]imidazole-4-carboxamide
CID 167780313

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate?
The IUPAC name of ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate (CID 103313878) is ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate is CCOC(=O)CN(C)C1CCc2ccccc2NC1=O.
What is the InChIKey of ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate?
The InChIKey is IKSKALPAWHYGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-20-14(18)10-17(2)13-9-8-11-6-4-5-7-12(11)16-15(13)19/h4-7,13H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate?
ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate has a molecular weight of 276.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]acetate is sourced from PubChem (CID 103313878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).