N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide

C20H24N3O3+ — CID 7393123

IUPACN-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-15(24)21-18-3-2-4-19(13-18)22-20(25)17-7-5-16(6-8-17)14-23-9-11-26-12-10-23/h2-8,13H,9-12,14H2,1H3,(H,21,24)(H,22,25)/p+1
InChIKeyATMKROICGLKZTC-UHFFFAOYSA-O
MW354.43 g/mol
LogP1.31
Rot. Bonds5

About N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide

N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide (PubChem CID 7393123) has the molecular formula C20H24N3O3+ and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
PubChem CID7393123
Molecular FormulaC20H24N3O3+
Molecular Weight354.43 g/mol
Exact Mass354.18
IUPAC NameN-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1
InChIInChI=1S/C20H23N3O3/c1-15(24)21-18-3-2-4-19(13-18)22-20(25)17-7-5-16(6-8-17)14-23-9-11-26-12-10-23/h2-8,13H,9-12,14H2,1H3,(H,21,24)(H,22,25)/p+1
InChIKeyATMKROICGLKZTC-UHFFFAOYSA-O
XLogP1.31
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6949966
4-[(4-bromophenoxy)methyl]-N-[3-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 4748638
N-(2-methyl-1,3-benzothiazol-6-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 9046668
N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 2205983
4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 7480755
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(morpholin-4-ium-4-ylmethyl)benzoate
CID 7768557
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 9046550
4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6958043
4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide
CID 7372335

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The IUPAC name of N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide (CID 7393123) is N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide is CC(=O)Nc1cccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
The InChIKey is ATMKROICGLKZTC-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23N3O3/c1-15(24)21-18-3-2-4-19(13-18)22-20(25)17-7-5-16(6-8-17)14-23-9-11-26-12-10-23/h2-8,13H,9-12,14H2,1H3,(H,21,24)(H,22,25)/p+1.
What are the key properties of N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide?
N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide has a molecular weight of 354.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide is sourced from PubChem (CID 7393123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).