3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide

C16H22N2O3 — CID 110722622

IUPAC3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide
SMILESCc1cccc(CCC(=O)NCCN2CCOCC2=O)c1
InChIInChI=1S/C16H22N2O3/c1-13-3-2-4-14(11-13)5-6-15(19)17-7-8-18-9-10-21-12-16(18)20/h2-4,11H,5-10,12H2,1H3,(H,17,19)
InChIKeyRPCFBHQCZGYDPG-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.90
Rot. Bonds6

About 3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide

3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide (PubChem CID 110722622) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide
PubChem CID110722622
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide
SMILESCc1cccc(CCC(=O)NCCN2CCOCC2=O)c1
InChIInChI=1S/C16H22N2O3/c1-13-3-2-4-14(11-13)5-6-15(19)17-7-8-18-9-10-21-12-16(18)20/h2-4,11H,5-10,12H2,1H3,(H,17,19)
InChIKeyRPCFBHQCZGYDPG-UHFFFAOYSA-N
XLogP0.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]propanamide
CID 110789216
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 47327011
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide
CID 95628573
N-(6-iodohexyl)-3-(3-methylphenyl)propanamide
CID 107848481
N-(6-bromohexyl)-3-(3-methylphenyl)propanamide
CID 114008578
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylphenyl)propanamide
CID 51937855
2-[(3-methylphenyl)methylsulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110285240
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide (CID 110722622) is 3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide is Cc1cccc(CCC(=O)NCCN2CCOCC2=O)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide?
The InChIKey is RPCFBHQCZGYDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13-3-2-4-14(11-13)5-6-15(19)17-7-8-18-9-10-21-12-16(18)20/h2-4,11H,5-10,12H2,1H3,(H,17,19).
What are the key properties of 3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide?
3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide has a molecular weight of 290.36 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[2-(3-oxomorpholin-4-yl)ethyl]propanamide is sourced from PubChem (CID 110722622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).