3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride

C21H31Cl2N3O3 — CID 119837767

IUPAC3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)C(C)C(N)c2ccccc2)N2CCOCC2)o1.Cl.Cl
InChIInChI=1S/C21H29N3O3.2ClH/c1-15-8-9-19(27-15)18(24-10-12-26-13-11-24)14-23-21(25)16(2)20(22)17-6-4-3-5-7-17;;/h3-9,16,18,20H,10-14,22H2,1-2H3,(H,23,25);2*1H
InChIKeyZLSLYYNFFOMPQA-UHFFFAOYSA-N
MW444.40 g/mol
LogP3.26
Rot. Bonds7

About 3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride

3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119837767) has the molecular formula C21H31Cl2N3O3 and a molecular weight of 444.40 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119837767
Molecular FormulaC21H31Cl2N3O3
Molecular Weight444.40 g/mol
Exact Mass443.17
IUPAC Name3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)C(C)C(N)c2ccccc2)N2CCOCC2)o1.Cl.Cl
InChIInChI=1S/C21H29N3O3.2ClH/c1-15-8-9-19(27-15)18(24-10-12-26-13-11-24)14-23-21(25)16(2)20(22)17-6-4-3-5-7-17;;/h3-9,16,18,20H,10-14,22H2,1-2H3,(H,23,25);2*1H
InChIKeyZLSLYYNFFOMPQA-UHFFFAOYSA-N
XLogP3.26
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849677
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-phenylsulfanylacetamide
CID 134039005
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
CID 119873740
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)propanamide
CID 51283112
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
CID 51283099
(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 119853237
1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119837797
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119829693
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride (CID 119837767) is 3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride is Cc1ccc(C(CNC(=O)C(C)C(N)c2ccccc2)N2CCOCC2)o1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is ZLSLYYNFFOMPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3.2ClH/c1-15-8-9-19(27-15)18(24-10-12-26-13-11-24)14-23-21(25)16(2)20(22)17-6-4-3-5-7-17;;/h3-9,16,18,20H,10-14,22H2,1-2H3,(H,23,25);2*1H.
What are the key properties of 3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride?
3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 444.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119837767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).