3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide

C22H27N3O3 — CID 37154032

IUPAC3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-2-4-18(5-3-17)6-11-21(26)23-19-7-9-20(10-8-19)24-22(27)16-25-12-14-28-15-13-25/h2-5,7-10H,6,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyORFWOYXGHWHTRT-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.84
Rot. Bonds7

About 3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide

3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide (PubChem CID 37154032) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
PubChem CID37154032
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H27N3O3/c1-17-2-4-18(5-3-17)6-11-21(26)23-19-7-9-20(10-8-19)24-22(27)16-25-12-14-28-15-13-25/h2-5,7-10H,6,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyORFWOYXGHWHTRT-UHFFFAOYSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
3-(4-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 110617653
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
4-ethyl-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 16612017
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide
CID 110615118
3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 120612232
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide (CID 37154032) is 3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide is Cc1ccc(CCC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
The InChIKey is ORFWOYXGHWHTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-2-4-18(5-3-17)6-11-21(26)23-19-7-9-20(10-8-19)24-22(27)16-25-12-14-28-15-13-25/h2-5,7-10H,6,11-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 37154032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).