2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide

C15H32N2O3S — CID 156649796

IUPAC2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide
SMILESCCCOCCOCCNC(=O)CSNCC(C)C(C)C
InChIInChI=1S/C15H32N2O3S/c1-5-7-19-9-10-20-8-6-16-15(18)12-21-17-11-14(4)13(2)3/h13-14,17H,5-12H2,1-4H3,(H,16,18)
InChIKeyOPVPXXONYLOUDE-UHFFFAOYSA-N
MW320.50 g/mol
LogP2.08
Rot. Bonds14

About 2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide

2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide (PubChem CID 156649796) has the molecular formula C15H32N2O3S and a molecular weight of 320.50 g/mol. Its IUPAC name is 2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide
PubChem CID156649796
Molecular FormulaC15H32N2O3S
Molecular Weight320.50 g/mol
Exact Mass320.21
IUPAC Name2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide
SMILESCCCOCCOCCNC(=O)CSNCC(C)C(C)C
InChIInChI=1S/C15H32N2O3S/c1-5-7-19-9-10-20-8-6-16-15(18)12-21-17-11-14(4)13(2)3/h13-14,17H,5-12H2,1-4H3,(H,16,18)
InChIKeyOPVPXXONYLOUDE-UHFFFAOYSA-N
XLogP2.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178008137
N-[2-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
ethane;[2-oxo-2-(2-propoxyethylamino)ethyl]mercury
CID 171823735
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
2-(2-oxopropoxy)-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 123445865
4-oxo-N-[2-(2-propoxyethoxy)ethyl]hexanamide
CID 135249369
N-methyl-2-[2-[2-[[2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 89101434
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
2-(2-propoxyethoxy)-N-propylacetamide
CID 149463198
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide?
The IUPAC name of 2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide (CID 156649796) is 2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide is CCCOCCOCCNC(=O)CSNCC(C)C(C)C.
What is the InChIKey of 2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide?
The InChIKey is OPVPXXONYLOUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3S/c1-5-7-19-9-10-20-8-6-16-15(18)12-21-17-11-14(4)13(2)3/h13-14,17H,5-12H2,1-4H3,(H,16,18).
What are the key properties of 2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide?
2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide has a molecular weight of 320.50 g/mol, XLogP of 2.08, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutylamino)sulfanyl-N-[2-(2-propoxyethoxy)ethyl]acetamide is sourced from PubChem (CID 156649796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).