N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide

C19H22N3O3+ — CID 7141196

IUPACN-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide
SMILESO=C(C[NH+]1CCOCC1)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c23-18(14-22-10-12-25-13-11-22)20-16-6-8-17(9-7-16)21-19(24)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H,21,24)/p+1
InChIKeyJDRDBNVQTFPBEB-UHFFFAOYSA-O
MW340.40 g/mol
LogP0.79
Rot. Bonds5

About N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide

N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide (PubChem CID 7141196) has the molecular formula C19H22N3O3+ and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide
PubChem CID7141196
Molecular FormulaC19H22N3O3+
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC NameN-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide
SMILESO=C(C[NH+]1CCOCC1)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O3/c23-18(14-22-10-12-25-13-11-22)20-16-6-8-17(9-7-16)21-19(24)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H,21,24)/p+1
InChIKeyJDRDBNVQTFPBEB-UHFFFAOYSA-O
XLogP0.79
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate
CID 7360402
N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2654003
2-morpholin-4-ium-4-yl-N-(2-phenylphenyl)acetamide
CID 6951855
N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2654034
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8754286
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
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
CID 9223569
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
CID 7473112
2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide
CID 3575843
4-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 8583822

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide (CID 7141196) is N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide is O=C(C[NH+]1CCOCC1)Nc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide?
The InChIKey is JDRDBNVQTFPBEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N3O3/c23-18(14-22-10-12-25-13-11-22)20-16-6-8-17(9-7-16)21-19(24)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H,21,24)/p+1.
What are the key properties of N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide?
N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide has a molecular weight of 340.40 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 7141196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).