2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride

C17H29Cl2N3O3 — CID 119829745

IUPAC2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride
SMILESCOc1ccc(C(CNC(=O)C(C)(C)N)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-17(2,18)16(21)19-12-15(20-8-10-23-11-9-20)13-4-6-14(22-3)7-5-13;;/h4-7,15H,8-12,18H2,1-3H3,(H,19,21);2*1H
InChIKeyAEDBVIYZKXPNHG-UHFFFAOYSA-N
MW394.34 g/mol
LogP1.77
Rot. Bonds6

About 2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride

2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride (PubChem CID 119829745) has the molecular formula C17H29Cl2N3O3 and a molecular weight of 394.34 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride
PubChem CID119829745
Molecular FormulaC17H29Cl2N3O3
Molecular Weight394.34 g/mol
Exact Mass393.16
IUPAC Name2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride
SMILESCOc1ccc(C(CNC(=O)C(C)(C)N)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-17(2,18)16(21)19-12-15(20-8-10-23-11-9-20)13-4-6-14(22-3)7-5-13;;/h4-7,15H,8-12,18H2,1-3H3,(H,19,21);2*1H
InChIKeyAEDBVIYZKXPNHG-UHFFFAOYSA-N
XLogP1.77
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 119867125
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
2-(4-aminophenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829747
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 51878966
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride (CID 119829745) is 2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride is COc1ccc(C(CNC(=O)C(C)(C)N)N2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride?
The InChIKey is AEDBVIYZKXPNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.2ClH/c1-17(2,18)16(21)19-12-15(20-8-10-23-11-9-20)13-4-6-14(22-3)7-5-13;;/h4-7,15H,8-12,18H2,1-3H3,(H,19,21);2*1H.
What are the key properties of 2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride?
2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride has a molecular weight of 394.34 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride is sourced from PubChem (CID 119829745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).