5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

C23H31N3O — CID 659721

IUPAC5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
SMILESCCN(CC)C(=O)N1c2ccccc2CC(N(CC)CC)c2ccccc21
InChIInChI=1S/C23H31N3O/c1-5-24(6-2)22-17-18-13-9-11-15-20(18)26(23(27)25(7-3)8-4)21-16-12-10-14-19(21)22/h9-16,22H,5-8,17H2,1-4H3
InChIKeyDUXONKOEFSZBRM-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.23
Rot. Bonds5

About 5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide (PubChem CID 659721) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide.

Molecular Properties

Compound Name5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
PubChem CID659721
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
SMILESCCN(CC)C(=O)N1c2ccccc2CC(N(CC)CC)c2ccccc21
InChIInChI=1S/C23H31N3O/c1-5-24(6-2)22-17-18-13-9-11-15-20(18)26(23(27)25(7-3)8-4)21-16-12-10-14-19(21)22/h9-16,22H,5-8,17H2,1-4H3
InChIKeyDUXONKOEFSZBRM-UHFFFAOYSA-N
XLogP5.23
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The IUPAC name of 5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide (CID 659721) is 5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide.
What is the SMILES notation for 5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The canonical SMILES for 5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide is CCN(CC)C(=O)N1c2ccccc2CC(N(CC)CC)c2ccccc21.
What is the InChIKey of 5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
The InChIKey is DUXONKOEFSZBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-5-24(6-2)22-17-18-13-9-11-15-20(18)26(23(27)25(7-3)8-4)21-16-12-10-14-19(21)22/h9-16,22H,5-8,17H2,1-4H3.
What are the key properties of 5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide?
5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-N,N-diethyl-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide is sourced from PubChem (CID 659721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).