N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide

C12H24N2O3S — CID 166733071

IUPACN-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide
SMILESCC(C)OCC(=O)NCCCCNC(=O)C(C)S
InChIInChI=1S/C12H24N2O3S/c1-9(2)17-8-11(15)13-6-4-5-7-14-12(16)10(3)18/h9-10,18H,4-8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyLWJPLZYVGBFJCY-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.74
Rot. Bonds9

About N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide

N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide (PubChem CID 166733071) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide
PubChem CID166733071
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide
SMILESCC(C)OCC(=O)NCCCCNC(=O)C(C)S
InChIInChI=1S/C12H24N2O3S/c1-9(2)17-8-11(15)13-6-4-5-7-14-12(16)10(3)18/h9-10,18H,4-8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyLWJPLZYVGBFJCY-UHFFFAOYSA-N
XLogP0.74
TPSA67.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915
N-(4-aminobutyl)-2-propan-2-yloxyacetamide
CID 112601737
N-[8-(methylamino)octyl]-2-propan-2-yloxyacetamide
CID 154671213
N-[8-(phosphanylcarbonylamino)octyl]-2-propan-2-yloxyacetamide
CID 157048781
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide
CID 170007814
prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
CID 89280805
N-[2-(methylamino)ethyl]-2-propan-2-yloxyacetamide
CID 112701277
N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
N-[5-[2-(6-methylheptoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 138727601
N-[4-[2-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butyl]-2-propan-2-yloxyacetamide
CID 165106125

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide?
The IUPAC name of N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide (CID 166733071) is N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide.
What is the SMILES notation for N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide?
The canonical SMILES for N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide is CC(C)OCC(=O)NCCCCNC(=O)C(C)S.
What is the InChIKey of N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide?
The InChIKey is LWJPLZYVGBFJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-9(2)17-8-11(15)13-6-4-5-7-14-12(16)10(3)18/h9-10,18H,4-8H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide?
N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide has a molecular weight of 276.40 g/mol, XLogP of 0.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide is sourced from PubChem (CID 166733071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).