4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide

C21H27N2O2+ — CID 7500396

IUPAC4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(2)18-7-9-20(10-8-18)22-21(24)19-5-3-17(4-6-19)15-23-11-13-25-14-12-23/h3-10,16H,11-15H2,1-2H3,(H,22,24)/p+1
InChIKeyJFNVJWAJVRHCLG-UHFFFAOYSA-O
MW339.46 g/mol
LogP2.48
Rot. Bonds5

About 4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide

4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 7500396) has the molecular formula C21H27N2O2+ and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
PubChem CID7500396
Molecular FormulaC21H27N2O2+
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O2/c1-16(2)18-7-9-20(10-8-18)22-21(24)19-5-3-17(4-6-19)15-23-11-13-25-14-12-23/h3-10,16H,11-15H2,1-2H3,(H,22,24)/p+1
InChIKeyJFNVJWAJVRHCLG-UHFFFAOYSA-O
XLogP2.48
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6958043
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 9046550
N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123
N-methyl-4-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzamide
CID 8616489
4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide
CID 7372335
N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 2205983
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6949966
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 9046668
3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
CID 28760251

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide (CID 7500396) is 4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1.
What is the InChIKey of 4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is JFNVJWAJVRHCLG-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)18-7-9-20(10-8-18)22-21(24)19-5-3-17(4-6-19)15-23-11-13-25-14-12-23/h3-10,16H,11-15H2,1-2H3,(H,22,24)/p+1.
What are the key properties of 4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide?
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 339.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 7500396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).