(E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide

C14H20N2O3S — CID 51095004

IUPAC(E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
SMILESCOCCCNC(=O)CN(C)C(=O)/C=C/c1ccsc1
InChIInChI=1S/C14H20N2O3S/c1-16(10-13(17)15-7-3-8-19-2)14(18)5-4-12-6-9-20-11-12/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,15,17)/b5-4+
InChIKeyQKOLANRZQXGOPU-SNAWJCMRSA-N
MW296.39 g/mol
LogP1.37
Rot. Bonds8

About (E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide

(E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide (PubChem CID 51095004) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
PubChem CID51095004
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
SMILESCOCCCNC(=O)CN(C)C(=O)/C=C/c1ccsc1
InChIInChI=1S/C14H20N2O3S/c1-16(10-13(17)15-7-3-8-19-2)14(18)5-4-12-6-9-20-11-12/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,15,17)/b5-4+
InChIKeyQKOLANRZQXGOPU-SNAWJCMRSA-N
XLogP1.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 51307815
methyl 2-[methyl-[(E)-3-thiophen-3-ylprop-2-enoyl]amino]acetate
CID 75413211
(E)-3-(3-methoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 51307851
[2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549949
(E)-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
CID 55375827
(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide
CID 7972275
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-(2-methoxyethyl)-3-thiophen-3-ylprop-2-enamide
CID 24683008
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
(2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 95156104
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide (CID 51095004) is (E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide is COCCCNC(=O)CN(C)C(=O)/C=C/c1ccsc1.
What is the InChIKey of (E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide?
The InChIKey is QKOLANRZQXGOPU-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-16(10-13(17)15-7-3-8-19-2)14(18)5-4-12-6-9-20-11-12/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,15,17)/b5-4+.
What are the key properties of (E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide?
(E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide has a molecular weight of 296.39 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 51095004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).