N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide

C14H24N2OS — CID 63992869

IUPACN,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
SMILESCCN(CC)C(=O)CCNC(C)c1sccc1C
InChIInChI=1S/C14H24N2OS/c1-5-16(6-2)13(17)7-9-15-12(4)14-11(3)8-10-18-14/h8,10,12,15H,5-7,9H2,1-4H3
InChIKeyWICUHRFEPBREHF-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.97
Rot. Bonds7

About N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide

N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide (PubChem CID 63992869) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
PubChem CID63992869
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
SMILESCCN(CC)C(=O)CCNC(C)c1sccc1C
InChIInChI=1S/C14H24N2OS/c1-5-16(6-2)13(17)7-9-15-12(4)14-11(3)8-10-18-14/h8,10,12,15H,5-7,9H2,1-4H3
InChIKeyWICUHRFEPBREHF-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide
CID 63993085
tert-butyl N-ethyl-N-[2-[1-(3-methylthiophen-2-yl)ethylamino]ethyl]carbamate
CID 103780690
N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 63993076
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide
CID 54935393
(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine
CID 115890210
N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 63992889
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 114615575
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide?
The IUPAC name of N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide (CID 63992869) is N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide?
The canonical SMILES for N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide is CCN(CC)C(=O)CCNC(C)c1sccc1C.
What is the InChIKey of N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide?
The InChIKey is WICUHRFEPBREHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-16(6-2)13(17)7-9-15-12(4)14-11(3)8-10-18-14/h8,10,12,15H,5-7,9H2,1-4H3.
What are the key properties of N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide?
N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide has a molecular weight of 268.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide is sourced from PubChem (CID 63992869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).