4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide

C15H23N3O3 — CID 83097793

IUPAC4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(CN)c1ccccc1OC
InChIInChI=1S/C15H23N3O3/c1-17-15(19)13-10-21-8-7-18(13)12(9-16)11-5-3-4-6-14(11)20-2/h3-6,12-13H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyPJNXBQZTDBIEQF-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.14
Rot. Bonds5

About 4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide

4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83097793) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide
PubChem CID83097793
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(CN)c1ccccc1OC
InChIInChI=1S/C15H23N3O3/c1-17-15(19)13-10-21-8-7-18(13)12(9-16)11-5-3-4-6-14(11)20-2/h3-6,12-13H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyPJNXBQZTDBIEQF-UHFFFAOYSA-N
XLogP0.14
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-amino-2-phenylpropyl)-N-methylmorpholine-3-carboxamide
CID 83106446
4-(2-amino-3-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099510
4-[2-[2-(aminomethyl)phenoxy]ethyl]-N-methylmorpholine-3-carboxamide
CID 83098387
4-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83098389
(3S)-4-(2,2-difluoroethyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]morpholine-3-carboxamide
CID 100613737
2-(2,5-dimethoxyphenyl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541870
4-[2-amino-1-(5-methylfuran-2-yl)ethyl]-N-ethylmorpholine-3-carboxamide
CID 83106718
4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83099710
4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide
CID 83106233
2-(2-chlorophenyl)-2-(3-methylmorpholin-4-yl)ethanamine
CID 43541974
4-(2-amino-1-pyridin-4-ylethyl)-N-propylmorpholine-3-carboxamide
CID 83097966
4-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83106163

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide (CID 83097793) is 4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(CN)c1ccccc1OC.
What is the InChIKey of 4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is PJNXBQZTDBIEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-17-15(19)13-10-21-8-7-18(13)12(9-16)11-5-3-4-6-14(11)20-2/h3-6,12-13H,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of 4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide?
4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83097793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).