N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride

C21H33ClN2O2 — CID 68673290

About N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride

N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 68673290) has the molecular formula C21H33ClN2O2 and a molecular weight of 380.96 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
• PubChem CID: 68673290
• Molecular Formula: C21H33ClN2O2
• Molecular Weight: 380.96 g/mol
• Exact Mass: 380.22
• IUPAC Name: N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
• SMILES: CC(C)CN(Cc1ccc2c(c1)CCCCC2)C(=O)C1CNCCO1.Cl
• InChI: InChI=1S/C21H32N2O2.ClH/c1-16(2)14-23(21(24)20-13-22-10-11-25-20)15-17-8-9-18-6-4-3-5-7-19(18)12-17;/h8-9,12,16,20,22H,3-7,10-11,13-15H2,1-2H3;1H
• InChIKey: VEMNPXHGJKLXTE-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.96
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride?

The IUPAC name of N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride (CID 68673290) is N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride.

What is the SMILES notation for N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride?

The canonical SMILES for N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride is CC(C)CN(Cc1ccc2c(c1)CCCCC2)C(=O)C1CNCCO1.Cl.

What is the InChIKey of N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride?

The InChIKey is VEMNPXHGJKLXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2.ClH/c1-16(2)14-23(21(24)20-13-22-10-11-25-20)15-17-8-9-18-6-4-3-5-7-19(18)12-17;/h8-9,12,16,20,22H,3-7,10-11,13-15H2,1-2H3;1H.

What are the key properties of N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride?

N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 380.96 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 68673290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).