3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide

C18H26N2O3 — CID 71975368

IUPAC3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide
SMILESCOc1cccc(C(C)=CC(=O)N(C)CCN2CCOCC2)c1
InChIInChI=1S/C18H26N2O3/c1-15(16-5-4-6-17(14-16)22-3)13-18(21)19(2)7-8-20-9-11-23-12-10-20/h4-6,13-14H,7-12H2,1-3H3
InChIKeySLEBXNUFCRYAND-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.89
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide

3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide (PubChem CID 71975368) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide
PubChem CID71975368
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide
SMILESCOc1cccc(C(C)=CC(=O)N(C)CCN2CCOCC2)c1
InChIInChI=1S/C18H26N2O3/c1-15(16-5-4-6-17(14-16)22-3)13-18(21)19(2)7-8-20-9-11-23-12-10-20/h4-6,13-14H,7-12H2,1-3H3
InChIKeySLEBXNUFCRYAND-UHFFFAOYSA-N
XLogP1.89
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 10000728
2-(2-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
CID 110753277
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
3-iodo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 163865741
3-bromo-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110753209
1-morpholin-4-ylpropan-2-yl 3-methoxybenzoate
CID 2913104
3-acetamido-N-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 110752365
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
CID 3837441
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 7622457
1-(3-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207254
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
methyl 4-[2-[(3-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42671048

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide (CID 71975368) is 3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide is COc1cccc(C(C)=CC(=O)N(C)CCN2CCOCC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide?
The InChIKey is SLEBXNUFCRYAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-15(16-5-4-6-17(14-16)22-3)13-18(21)19(2)7-8-20-9-11-23-12-10-20/h4-6,13-14H,7-12H2,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide?
3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide has a molecular weight of 318.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)but-2-enamide is sourced from PubChem (CID 71975368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).