N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide)

C16H35N3O3 — CID 54129465

IUPACN,N-dimethylacetamide;bis(N-methyl-N-propylacetamide)
SMILESCC(=O)N(C)C.CCCN(C)C(C)=O.CCCN(C)C(C)=O
InChIInChI=1S/2C6H13NO.C4H9NO/c2*1-4-5-7(3)6(2)8;1-4(6)5(2)3/h2*4-5H2,1-3H3;1-3H3
InChIKeyNTHWSBBLUGOQEH-UHFFFAOYSA-N
MW317.47 g/mol
LogP1.84
Rot. Bonds4

About N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide)

N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide) (PubChem CID 54129465) has the molecular formula C16H35N3O3 and a molecular weight of 317.47 g/mol. Its IUPAC name is N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide).

Molecular Properties

Compound NameN,N-dimethylacetamide;bis(N-methyl-N-propylacetamide)
PubChem CID54129465
Molecular FormulaC16H35N3O3
Molecular Weight317.47 g/mol
Exact Mass317.27
IUPAC NameN,N-dimethylacetamide;bis(N-methyl-N-propylacetamide)
SMILESCC(=O)N(C)C.CCCN(C)C(C)=O.CCCN(C)C(C)=O
InChIInChI=1S/2C6H13NO.C4H9NO/c2*1-4-5-7(3)6(2)8;1-4(6)5(2)3/h2*4-5H2,1-3H3;1-3H3
InChIKeyNTHWSBBLUGOQEH-UHFFFAOYSA-N
XLogP1.84
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dibutylacetamide
CID 73811
N,N-Dipropylacetamide
CID 70690
Propanamide, N,N-dipropyl-
CID 70687
N,N,N',N'-Tetrabutylmalonamide
CID 3494509
Acetamide, N-butyl-N-ethyl-
CID 202537
N,N,N',N'-tetrabutylbutanediamide
CID 4572068
N-[3-[acetyl(methyl)amino]propyl]-N-methylacetamide
CID 22908371
N,N,N',N'-Tetraisobutyl-malonamide
CID 1809489
N-[5-[acetyl(methyl)amino]pentyl]-N-methylacetamide
CID 76328851
Acetamide, N-butyl-N-propyl-
CID 278469
Oxalic acid, diamide, N,N,N',N'-tetrabutyl-
CID 3417535
Oxalamide, N,N,N',N'-tetraisobutyl-
CID 4523531

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide)?
The IUPAC name of N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide) (CID 54129465) is N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide).
What is the SMILES notation for N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide)?
The canonical SMILES for N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide) is CC(=O)N(C)C.CCCN(C)C(C)=O.CCCN(C)C(C)=O.
What is the InChIKey of N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide)?
The InChIKey is NTHWSBBLUGOQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13NO.C4H9NO/c2*1-4-5-7(3)6(2)8;1-4(6)5(2)3/h2*4-5H2,1-3H3;1-3H3.
What are the key properties of N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide)?
N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide) has a molecular weight of 317.47 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;bis(N-methyl-N-propylacetamide) is sourced from PubChem (CID 54129465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).