2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride

C17H29Cl2N3O3 — CID 119837781

IUPAC2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)CNCC2CC2)N2CCOCC2)o1.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-13-2-5-16(23-13)15(20-6-8-22-9-7-20)11-19-17(21)12-18-10-14-3-4-14;;/h2,5,14-15,18H,3-4,6-12H2,1H3,(H,19,21);2*1H
InChIKeyUCYPYEUQMIHBDG-UHFFFAOYSA-N
MW394.34 g/mol
LogP1.92
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride

2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride (PubChem CID 119837781) has the molecular formula C17H29Cl2N3O3 and a molecular weight of 394.34 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
PubChem CID119837781
Molecular FormulaC17H29Cl2N3O3
Molecular Weight394.34 g/mol
Exact Mass393.16
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)CNCC2CC2)N2CCOCC2)o1.Cl.Cl
InChIInChI=1S/C17H27N3O3.2ClH/c1-13-2-5-16(23-13)15(20-6-8-22-9-7-20)11-19-17(21)12-18-10-14-3-4-14;;/h2,5,14-15,18H,3-4,6-12H2,1H3,(H,19,21);2*1H
InChIKeyUCYPYEUQMIHBDG-UHFFFAOYSA-N
XLogP1.92
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
N-[2-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 55649335
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-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32707918
1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 97071225
2-(4-fluorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 18164114
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119875158
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-phenylsulfanylacetamide
CID 134039005
(2S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 94180518
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 97196259
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenoxypropanamide
CID 95577240

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride (CID 119837781) is 2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride is Cc1ccc(C(CNC(=O)CNCC2CC2)N2CCOCC2)o1.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride?
The InChIKey is UCYPYEUQMIHBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3.2ClH/c1-13-2-5-16(23-13)15(20-6-8-22-9-7-20)11-19-17(21)12-18-10-14-3-4-14;;/h2,5,14-15,18H,3-4,6-12H2,1H3,(H,19,21);2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride?
2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride has a molecular weight of 394.34 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119837781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).