N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride

C16H29Cl2N3O2S — CID 119880751

IUPACN-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
SMILESCNCCCC(=O)N(C)CC(c1cccs1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C16H27N3O2S.2ClH/c1-17-7-3-6-16(20)18(2)13-14(15-5-4-12-22-15)19-8-10-21-11-9-19;;/h4-5,12,14,17H,3,6-11,13H2,1-2H3;2*1H
InChIKeyCUSRPHWJZFZIEE-UHFFFAOYSA-N
MW398.40 g/mol
LogP2.42
Rot. Bonds8

About N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride

N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride (PubChem CID 119880751) has the molecular formula C16H29Cl2N3O2S and a molecular weight of 398.40 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
PubChem CID119880751
Molecular FormulaC16H29Cl2N3O2S
Molecular Weight398.40 g/mol
Exact Mass397.14
IUPAC NameN-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
SMILESCNCCCC(=O)N(C)CC(c1cccs1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C16H27N3O2S.2ClH/c1-17-7-3-6-16(20)18(2)13-14(15-5-4-12-22-15)19-8-10-21-11-9-19;;/h4-5,12,14,17H,3,6-11,13H2,1-2H3;2*1H
InChIKeyCUSRPHWJZFZIEE-UHFFFAOYSA-N
XLogP2.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride?
The IUPAC name of N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride (CID 119880751) is N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride?
The canonical SMILES for N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride is CNCCCC(=O)N(C)CC(c1cccs1)N1CCOCC1.Cl.Cl.
What is the InChIKey of N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride?
The InChIKey is CUSRPHWJZFZIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S.2ClH/c1-17-7-3-6-16(20)18(2)13-14(15-5-4-12-22-15)19-8-10-21-11-9-19;;/h4-5,12,14,17H,3,6-11,13H2,1-2H3;2*1H.
What are the key properties of N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride?
N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride has a molecular weight of 398.40 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride is sourced from PubChem (CID 119880751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).