4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

C23H31N2O2+ — CID 9481472

IUPAC4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-18(2)15-19-7-9-20(10-8-19)23(26)24-16-21-5-3-4-6-22(21)17-25-11-13-27-14-12-25/h3-10,18H,11-17H2,1-2H3,(H,24,26)/p+1
InChIKeyHCBQIZSYBJGLAY-UHFFFAOYSA-O
MW367.51 g/mol
LogP2.23
Rot. Bonds7

About 4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 9481472) has the molecular formula C23H31N2O2+ and a molecular weight of 367.51 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID9481472
Molecular FormulaC23H31N2O2+
Molecular Weight367.51 g/mol
Exact Mass367.24
IUPAC Name4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-18(2)15-19-7-9-20(10-8-19)23(26)24-16-21-5-3-4-6-22(21)17-25-11-13-27-14-12-25/h3-10,18H,11-17H2,1-2H3,(H,24,26)/p+1
InChIKeyHCBQIZSYBJGLAY-UHFFFAOYSA-O
XLogP2.23
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481322
N-benzyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7460088
N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 9209104
2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481202
2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481262
2-(2,4-dimethoxyphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481630
4-(1,3-dithiolan-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 8969424
N-benzyl-4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]benzamide
CID 7410516
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-phenylbenzamide
CID 31961123

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide (CID 9481472) is 4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide is CC(C)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is HCBQIZSYBJGLAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H30N2O2/c1-18(2)15-19-7-9-20(10-8-19)23(26)24-16-21-5-3-4-6-22(21)17-25-11-13-27-14-12-25/h3-10,18H,11-17H2,1-2H3,(H,24,26)/p+1.
What are the key properties of 4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide?
4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 367.51 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 9481472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).