3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide

C17H25N3O3 — CID 4051447

IUPAC3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C17H25N3O3/c1-13(2)16(21)19-15-5-3-4-14(12-15)17(22)18-6-7-20-8-10-23-11-9-20/h3-5,12-13H,6-11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyVYMYLCNHAFWVSU-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.34
Rot. Bonds6

About 3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide

3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 4051447) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID4051447
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C17H25N3O3/c1-13(2)16(21)19-15-5-3-4-14(12-15)17(22)18-6-7-20-8-10-23-11-9-20/h3-5,12-13H,6-11H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyVYMYLCNHAFWVSU-UHFFFAOYSA-N
XLogP1.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
3-(ethylsulfonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 100786193
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053328
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 4157842
3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 53319324
3-(methoxymethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 51218992
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644
N-butyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 54813916

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide (CID 4051447) is 3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide is CC(C)C(=O)Nc1cccc(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is VYMYLCNHAFWVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13(2)16(21)19-15-5-3-4-14(12-15)17(22)18-6-7-20-8-10-23-11-9-20/h3-5,12-13H,6-11H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide?
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 319.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 4051447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).