N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide

C15H28N2O5 — CID 170359530

IUPACN-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide
SMILESCC(=O)CCOCC(COCCC(C)=O)NC(=O)CN(C)C
InChIInChI=1S/C15H28N2O5/c1-12(18)5-7-21-10-14(11-22-8-6-13(2)19)16-15(20)9-17(3)4/h14H,5-11H2,1-4H3,(H,16,20)
InChIKeyQGXXIKWTXASVMA-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.02
Rot. Bonds13

About N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide

N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide (PubChem CID 170359530) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide
PubChem CID170359530
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC NameN-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide
SMILESCC(=O)CCOCC(COCCC(C)=O)NC(=O)CN(C)C
InChIInChI=1S/C15H28N2O5/c1-12(18)5-7-21-10-14(11-22-8-6-13(2)19)16-15(20)9-17(3)4/h14H,5-11H2,1-4H3,(H,16,20)
InChIKeyQGXXIKWTXASVMA-UHFFFAOYSA-N
XLogP0.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide (CID 170359530) is N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide is CC(=O)CCOCC(COCCC(C)=O)NC(=O)CN(C)C.
What is the InChIKey of N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide?
The InChIKey is QGXXIKWTXASVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-12(18)5-7-21-10-14(11-22-8-6-13(2)19)16-15(20)9-17(3)4/h14H,5-11H2,1-4H3,(H,16,20).
What are the key properties of N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide?
N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide has a molecular weight of 316.40 g/mol, XLogP of 0.02, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(3-oxobutoxy)propan-2-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 170359530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).