2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide

C19H20N2O2 — CID 58595310

IUPAC2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide
SMILESCC(C)(C)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21
InChIInChI=1S/C19H20N2O2/c1-19(2,3)18(23)21-16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)20-17(16)22/h4-11,16H,1-3H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyPAOIAXMDCFXLPI-INIZCTEOSA-N
MW308.38 g/mol
LogP3.51
Rot. Bonds1

About 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide

2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide (PubChem CID 58595310) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide
PubChem CID58595310
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide
SMILESCC(C)(C)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21
InChIInChI=1S/C19H20N2O2/c1-19(2,3)18(23)21-16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)20-17(16)22/h4-11,16H,1-3H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyPAOIAXMDCFXLPI-INIZCTEOSA-N
XLogP3.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide (CID 58595310) is 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide is CC(C)(C)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21.
What is the InChIKey of 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide?
The InChIKey is PAOIAXMDCFXLPI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-19(2,3)18(23)21-16-14-10-5-4-8-12(14)13-9-6-7-11-15(13)20-17(16)22/h4-11,16H,1-3H3,(H,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide?
2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide has a molecular weight of 308.38 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]propanamide is sourced from PubChem (CID 58595310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).