2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide

C17H25N3O3 — CID 119701228

IUPAC2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)CC2CNCCO2)cc1
InChIInChI=1S/C17H25N3O3/c1-12(2)17(22)20-14-5-3-13(4-6-14)10-19-16(21)9-15-11-18-7-8-23-15/h3-6,12,15,18H,7-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDPYGGLHYVGIISN-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.28
Rot. Bonds6

About 2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide

2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide (PubChem CID 119701228) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide
PubChem CID119701228
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)CC2CNCCO2)cc1
InChIInChI=1S/C17H25N3O3/c1-12(2)17(22)20-14-5-3-13(4-6-14)10-19-16(21)9-15-11-18-7-8-23-15/h3-6,12,15,18H,7-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDPYGGLHYVGIISN-UHFFFAOYSA-N
XLogP1.28
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119685269
N-[[4-(2-methylpropanoylamino)phenyl]methyl]morpholine-2-carboxamide
CID 119701239
N-[(4-methoxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 66434532
2-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]acetic acid
CID 66427232
N-[(2-hydroxyphenyl)methyl]-2-morpholin-2-ylacetamide
CID 114332328
2-morpholin-2-yl-N-[(4-nitrophenyl)methyl]acetamide
CID 66426771
N-[(3-fluoro-4-methylphenyl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119697510
2-morpholin-2-yl-N-(4-propan-2-yloxyphenyl)acetamide
CID 66432987
2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701241
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
N-[4-(2-hydroxyethyl)phenyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 111470973
2-[(2S)-morpholin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 125118421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide (CID 119701228) is 2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(CNC(=O)CC2CNCCO2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide?
The InChIKey is DPYGGLHYVGIISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)17(22)20-14-5-3-13(4-6-14)10-19-16(21)9-15-11-18-7-8-23-15/h3-6,12,15,18H,7-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide?
2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide has a molecular weight of 319.41 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide is sourced from PubChem (CID 119701228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).