ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide

C19H32N2O3 — CID 145404555

IUPACethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide
SMILESCC.CC.CCC(=O)NCc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C15H20N2O3.2C2H6/c1-2-14(18)16-11-12-4-3-5-13(10-12)15(19)17-6-8-20-9-7-17;2*1-2/h3-5,10H,2,6-9,11H2,1H3,(H,16,18);2*1-2H3
InChIKeyFPKULODYHMVCPG-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.24
Rot. Bonds4

About ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide

ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide (PubChem CID 145404555) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Nameethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide
PubChem CID145404555
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nameethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide
SMILESCC.CC.CCC(=O)NCc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C15H20N2O3.2C2H6/c1-2-14(18)16-11-12-4-3-5-13(10-12)15(19)17-6-8-20-9-7-17;2*1-2/h3-5,10H,2,6-9,11H2,1H3,(H,16,18);2*1-2H3
InChIKeyFPKULODYHMVCPG-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
3-[(propanoylamino)methyl]benzoic acid
CID 20745849
ethane;N-[1-[3-(morpholine-4-carbonyl)phenyl]propan-2-yl]acetamide
CID 142839545
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122029654
5-methyl-1-[[3-(morpholine-4-carbonyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122480
[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone
CID 147198706
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
N-[[3-[(morpholine-4-carbonylamino)methyl]phenyl]methyl]morpholine-4-carboxamide
CID 118585548
3-[(propanoylamino)methyl]benzamide
CID 32636451
N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943433
3-(4-morpholin-4-ylsulfonylphenyl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 55709889
2-[(2S)-oxolan-2-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 94130282

Frequently Asked Questions

What is the IUPAC name of ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide (CID 145404555) is ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide is CC.CC.CCC(=O)NCc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide?
The InChIKey is FPKULODYHMVCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.2C2H6/c1-2-14(18)16-11-12-4-3-5-13(10-12)15(19)17-6-8-20-9-7-17;2*1-2/h3-5,10H,2,6-9,11H2,1H3,(H,16,18);2*1-2H3.
What are the key properties of ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide?
ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide has a molecular weight of 336.48 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 145404555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).