N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide

C17H27N3O2 — CID 89495259

IUPACN-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide
SMILESCC(C)NCc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-14(2)19-13-15-3-5-16(6-4-15)17(21)18-7-8-20-9-11-22-12-10-20/h3-6,14,19H,7-13H2,1-2H3,(H,18,21)
InChIKeyJLTBBNAOUJXLBJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.25
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide

N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide (PubChem CID 89495259) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide
PubChem CID89495259
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide
SMILESCC(C)NCc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C17H27N3O2/c1-14(2)19-13-15-3-5-16(6-4-15)17(21)18-7-8-20-9-11-22-12-10-20/h3-6,14,19H,7-13H2,1-2H3,(H,18,21)
InChIKeyJLTBBNAOUJXLBJ-UHFFFAOYSA-N
XLogP1.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
4-N-tert-butyl-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045886
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054
4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119881976
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
4-N-(2-morpholin-4-ylethyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078221
N-(2-morpholin-4-ylethyl)-4-sulfamoylbenzamide
CID 25060315
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide (CID 89495259) is N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide is CC(C)NCc1ccc(C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide?
The InChIKey is JLTBBNAOUJXLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(2)19-13-15-3-5-16(6-4-15)17(21)18-7-8-20-9-11-22-12-10-20/h3-6,14,19H,7-13H2,1-2H3,(H,18,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide?
N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide has a molecular weight of 305.42 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[(propan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 89495259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).