N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane

C17H39NO4S — CID 171540633

IUPACN-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane
SMILESCCCCNC(=O)COCCOCCOCCCC(C)CC.S.[H][H]
InChIInChI=1S/C17H35NO4.H2S.H2/c1-4-6-9-18-17(19)15-22-14-13-21-12-11-20-10-7-8-16(3)5-2;;/h16H,4-15H2,1-3H3,(H,18,19);1H2;1H
InChIKeyNTDWIMKIOXAIBK-UHFFFAOYSA-N
MW353.57 g/mol
LogP3.14
Rot. Bonds16

About N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane

N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane (PubChem CID 171540633) has the molecular formula C17H39NO4S and a molecular weight of 353.57 g/mol. Its IUPAC name is N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane.

Molecular Properties

Compound NameN-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane
PubChem CID171540633
Molecular FormulaC17H39NO4S
Molecular Weight353.57 g/mol
Exact Mass353.26
IUPAC NameN-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane
SMILESCCCCNC(=O)COCCOCCOCCCC(C)CC.S.[H][H]
InChIInChI=1S/C17H35NO4.H2S.H2/c1-4-6-9-18-17(19)15-22-14-13-21-12-11-20-10-7-8-16(3)5-2;;/h16H,4-15H2,1-3H3,(H,18,19);1H2;1H
InChIKeyNTDWIMKIOXAIBK-UHFFFAOYSA-N
XLogP3.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.57
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
2-(2-butoxyethoxy)-N-(4-methylpentyl)acetamide
CID 148767306
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide
CID 123464565
4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
CID 163400778
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
2-(2-butoxyethoxy)-N-(2-hydroxyethyl)acetamide
CID 89471630
2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide
CID 170040572
N-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxymethyl]propanamide
CID 137465988

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane?
The IUPAC name of N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane (CID 171540633) is N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane.
What is the SMILES notation for N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane?
The canonical SMILES for N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane is CCCCNC(=O)COCCOCCOCCCC(C)CC.S.[H][H].
What is the InChIKey of N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane?
The InChIKey is NTDWIMKIOXAIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO4.H2S.H2/c1-4-6-9-18-17(19)15-22-14-13-21-12-11-20-10-7-8-16(3)5-2;;/h16H,4-15H2,1-3H3,(H,18,19);1H2;1H.
What are the key properties of N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane?
N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane has a molecular weight of 353.57 g/mol, XLogP of 3.14, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane is sourced from PubChem (CID 171540633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).