4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide

C14H29NO3S — CID 130469145

IUPAC4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide
SMILESCCCOCCOCCN(C)C(=O)CCCSCC
InChIInChI=1S/C14H29NO3S/c1-4-9-17-11-12-18-10-8-15(3)14(16)7-6-13-19-5-2/h4-13H2,1-3H3
InChIKeyIOQRCQACCLCVNS-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.42
Rot. Bonds13

About 4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide

4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide (PubChem CID 130469145) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide.

Molecular Properties

Compound Name4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide
PubChem CID130469145
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide
SMILESCCCOCCOCCN(C)C(=O)CCCSCC
InChIInChI=1S/C14H29NO3S/c1-4-9-17-11-12-18-10-8-15(3)14(16)7-6-13-19-5-2/h4-13H2,1-3H3
InChIKeyIOQRCQACCLCVNS-UHFFFAOYSA-N
XLogP2.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-[2-[3-carboxypropanoyl(methyl)amino]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
CID 125495900
4-chloro-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81059200
4-amino-N-(2-ethoxyethyl)-N-methylbutanamide
CID 81058942
N-ethyl-N-methyl-3-propoxypropanamide
CID 87235290
6-amino-N-(2-ethoxyethyl)-N-methylhexanamide
CID 81059139
3-[2-[2-[2-[2-[ethyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[3-[ethyl(methyl)amino]propyl]-N-methylpropanamide
CID 167270871
3-amino-N-(2-ethoxyethyl)-N-methylpropanamide
CID 81058300
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-methylpropanamide
CID 168897621
2-[dodecanoyl(methyl)amino]ethyl dodecanoate
CID 87794388
N-(2-butoxyethyl)-N-methylacetamide
CID 155404672
N-methyl-N-propyl-3-propylsulfanylpropanamide
CID 88902574
N'-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl]-N,N'-dimethylbutanediamide
CID 23377103

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide?
The IUPAC name of 4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide (CID 130469145) is 4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide.
What is the SMILES notation for 4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide?
The canonical SMILES for 4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide is CCCOCCOCCN(C)C(=O)CCCSCC.
What is the InChIKey of 4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide?
The InChIKey is IOQRCQACCLCVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-4-9-17-11-12-18-10-8-15(3)14(16)7-6-13-19-5-2/h4-13H2,1-3H3.
What are the key properties of 4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide?
4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide has a molecular weight of 291.46 g/mol, XLogP of 2.42, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-methyl-N-[2-(2-propoxyethoxy)ethyl]butanamide is sourced from PubChem (CID 130469145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).