3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide

C16H23N3O3 — CID 51162231

IUPAC3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C16H23N3O3/c1-13(20)18-15-5-2-4-14(12-15)16(21)17-6-3-7-19-8-10-22-11-9-19/h2,4-5,12H,3,6-11H2,1H3,(H,17,21)(H,18,20)
InChIKeySOPTWQCOZXBURU-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.10
Rot. Bonds6

About 3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide

3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 51162231) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID51162231
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C16H23N3O3/c1-13(20)18-15-5-2-4-14(12-15)16(21)17-6-3-7-19-8-10-22-11-9-19/h2,4-5,12H,3,6-11H2,1H3,(H,17,21)(H,18,20)
InChIKeySOPTWQCOZXBURU-UHFFFAOYSA-N
XLogP1.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 54813916
N-[3-(3-morpholin-4-ylpropylcarbamoyl)phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
CID 46329931
3-acetamido-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110752365
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide (CID 51162231) is 3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide is CC(=O)Nc1cccc(C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of 3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is SOPTWQCOZXBURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-13(20)18-15-5-2-4-14(12-15)16(21)17-6-3-7-19-8-10-22-11-9-19/h2,4-5,12H,3,6-11H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide?
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 305.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 51162231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).