N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide

C22H34N2O3 — CID 68675396

IUPACN-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
SMILESCOC1CCCCc2ccc(CN(CC(C)C)C(=O)C3CNCCO3)cc21
InChIInChI=1S/C22H34N2O3/c1-16(2)14-24(22(25)21-13-23-10-11-27-21)15-17-8-9-18-6-4-5-7-20(26-3)19(18)12-17/h8-9,12,16,20-21,23H,4-7,10-11,13-15H2,1-3H3
InChIKeyHSJKEVYFITUQHI-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.07
Rot. Bonds6

About N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide

N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide (PubChem CID 68675396) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
PubChem CID68675396
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide
SMILESCOC1CCCCc2ccc(CN(CC(C)C)C(=O)C3CNCCO3)cc21
InChIInChI=1S/C22H34N2O3/c1-16(2)14-24(22(25)21-13-23-10-11-27-21)15-17-8-9-18-6-4-5-7-20(26-3)19(18)12-17/h8-9,12,16,20-21,23H,4-7,10-11,13-15H2,1-3H3
InChIKeyHSJKEVYFITUQHI-UHFFFAOYSA-N
XLogP3.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide?
The IUPAC name of N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide (CID 68675396) is N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide.
What is the SMILES notation for N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide?
The canonical SMILES for N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide is COC1CCCCc2ccc(CN(CC(C)C)C(=O)C3CNCCO3)cc21.
What is the InChIKey of N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide?
The InChIKey is HSJKEVYFITUQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-16(2)14-24(22(25)21-13-23-10-11-27-21)15-17-8-9-18-6-4-5-7-20(26-3)19(18)12-17/h8-9,12,16,20-21,23H,4-7,10-11,13-15H2,1-3H3.
What are the key properties of N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide?
N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methyl]-N-(2-methylpropyl)morpholine-2-carboxamide is sourced from PubChem (CID 68675396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).