N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide

C22H29N2O2+ — CID 2205983

IUPACN-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-16(2)20-6-4-5-17(3)21(20)23-22(25)19-9-7-18(8-10-19)15-24-11-13-26-14-12-24/h4-10,16H,11-15H2,1-3H3,(H,23,25)/p+1
InChIKeyQPMAUONRRSIOJN-UHFFFAOYSA-O
MW353.49 g/mol
LogP2.79
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide

N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide (PubChem CID 2205983) has the molecular formula C22H29N2O2+ and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
PubChem CID2205983
Molecular FormulaC22H29N2O2+
Molecular Weight353.49 g/mol
Exact Mass353.22
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-16(2)20-6-4-5-17(3)21(20)23-22(25)19-9-7-18(8-10-19)15-24-11-13-26-14-12-24/h4-10,16H,11-15H2,1-3H3,(H,23,25)/p+1
InChIKeyQPMAUONRRSIOJN-UHFFFAOYSA-O
XLogP2.79
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46680510
N-(2,6-dimethylphenyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide
CID 7210868
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43040959
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate
CID 7768834
(2R)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 9126968
N-(2-methyl-6-propan-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 109252269
2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9258677
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide (CID 2205983) is N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide is Cc1cccc(C(C)C)c1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The InChIKey is QPMAUONRRSIOJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H28N2O2/c1-16(2)20-6-4-5-17(3)21(20)23-22(25)19-9-7-18(8-10-19)15-24-11-13-26-14-12-24/h4-10,16H,11-15H2,1-3H3,(H,23,25)/p+1.
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide has a molecular weight of 353.49 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide is sourced from PubChem (CID 2205983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).