3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide

C14H30N2O3S — CID 171556559

IUPAC3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide
SMILESCCCOCC(COCC)NC(=O)C(C)(S)C(C)(C)N
InChIInChI=1S/C14H30N2O3S/c1-6-8-19-10-11(9-18-7-2)16-12(17)14(5,20)13(3,4)15/h11,20H,6-10,15H2,1-5H3,(H,16,17)
InChIKeyVWOZNDGCDROJFF-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.36
Rot. Bonds10

About 3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide

3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide (PubChem CID 171556559) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is 3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide.

Molecular Properties

Compound Name3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide
PubChem CID171556559
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide
SMILESCCCOCC(COCC)NC(=O)C(C)(S)C(C)(C)N
InChIInChI=1S/C14H30N2O3S/c1-6-8-19-10-11(9-18-7-2)16-12(17)14(5,20)13(3,4)15/h11,20H,6-10,15H2,1-5H3,(H,16,17)
InChIKeyVWOZNDGCDROJFF-UHFFFAOYSA-N
XLogP1.36
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide?
The IUPAC name of 3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide (CID 171556559) is 3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide.
What is the SMILES notation for 3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide?
The canonical SMILES for 3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide is CCCOCC(COCC)NC(=O)C(C)(S)C(C)(C)N.
What is the InChIKey of 3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide?
The InChIKey is VWOZNDGCDROJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-6-8-19-10-11(9-18-7-2)16-12(17)14(5,20)13(3,4)15/h11,20H,6-10,15H2,1-5H3,(H,16,17).
What are the key properties of 3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide?
3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide has a molecular weight of 306.47 g/mol, XLogP of 1.36, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethoxy-3-propoxypropan-2-yl)-2,3-dimethyl-2-sulfanylbutanamide is sourced from PubChem (CID 171556559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).