N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide

C18H20N2O2 — CID 87711180

IUPACN-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide
SMILESO=CNCC(O)CN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H20N2O2/c21-13-19-11-16(22)12-20-17-7-3-1-5-14(17)9-10-15-6-2-4-8-18(15)20/h1-8,13,16,22H,9-12H2,(H,19,21)
InChIKeyIMBWKIAVZSNTQF-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.03
Rot. Bonds5

About N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide

N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide (PubChem CID 87711180) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide.

Molecular Properties

Compound NameN-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide
PubChem CID87711180
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide
SMILESO=CNCC(O)CN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C18H20N2O2/c21-13-19-11-16(22)12-20-17-7-3-1-5-14(17)9-10-15-6-2-4-8-18(15)20/h1-8,13,16,22H,9-12H2,(H,19,21)
InChIKeyIMBWKIAVZSNTQF-UHFFFAOYSA-N
XLogP2.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide?
The IUPAC name of N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide (CID 87711180) is N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide.
What is the SMILES notation for N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide?
The canonical SMILES for N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide is O=CNCC(O)CN1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide?
The InChIKey is IMBWKIAVZSNTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-13-19-11-16(22)12-20-17-7-3-1-5-14(17)9-10-15-6-2-4-8-18(15)20/h1-8,13,16,22H,9-12H2,(H,19,21).
What are the key properties of N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide?
N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide has a molecular weight of 296.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]formamide is sourced from PubChem (CID 87711180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).