3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide

C21H26N2O3 — CID 110637300

IUPAC3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(N3CCOC(C)C3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-16-15-23(13-14-26-16)19-8-6-18(7-9-19)22-21(24)12-5-17-3-10-20(25-2)11-4-17/h3-4,6-11,16H,5,12-15H2,1-2H3,(H,22,24)
InChIKeyUHJJRAMODDJKPS-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.49
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide

3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide (PubChem CID 110637300) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
PubChem CID110637300
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(N3CCOC(C)C3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-16-15-23(13-14-26-16)19-8-6-18(7-9-19)22-21(24)12-5-17-3-10-20(25-2)11-4-17/h3-4,6-11,16H,5,12-15H2,1-2H3,(H,22,24)
InChIKeyUHJJRAMODDJKPS-UHFFFAOYSA-N
XLogP3.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637305
N-[4-(2,5-dimethylmorpholin-4-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 110637763
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523260
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-phenylacetamide
CID 110637265
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)propanamide
CID 110288167
N-(4-methoxyphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 7733845
3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
2,2-dimethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide
CID 110637241
2-ethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]butanamide
CID 110637243
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide (CID 110637300) is 3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(N3CCOC(C)C3)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide?
The InChIKey is UHJJRAMODDJKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-15-23(13-14-26-16)19-8-6-18(7-9-19)22-21(24)12-5-17-3-10-20(25-2)11-4-17/h3-4,6-11,16H,5,12-15H2,1-2H3,(H,22,24).
What are the key properties of 3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[4-(2-methylmorpholin-4-yl)phenyl]propanamide is sourced from PubChem (CID 110637300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).