bis(N,N-dimethylacetamide);methyl acetate;propan-2-one

C17H36N2O7 — CID 161062659

IUPACbis(N,N-dimethylacetamide);methyl acetate;propan-2-one
SMILESCC(=O)N(C)C.CC(=O)N(C)C.CC(C)=O.COC(C)=O.COC(C)=O
InChIInChI=1S/2C4H9NO.2C3H6O2.C3H6O/c2*1-4(6)5(2)3;2*1-3(4)5-2;1-3(2)4/h2*1-3H3;2*1-2H3;1-2H3
InChIKeyUDPCXAFGHQIVRZ-UHFFFAOYSA-N
MW380.48 g/mol
LogP1.14
Rot. Bonds

About bis(N,N-dimethylacetamide);methyl acetate;propan-2-one

bis(N,N-dimethylacetamide);methyl acetate;propan-2-one (PubChem CID 161062659) has the molecular formula C17H36N2O7 and a molecular weight of 380.48 g/mol. Its IUPAC name is bis(N,N-dimethylacetamide);methyl acetate;propan-2-one.

Molecular Properties

Compound Namebis(N,N-dimethylacetamide);methyl acetate;propan-2-one
PubChem CID161062659
Molecular FormulaC17H36N2O7
Molecular Weight380.48 g/mol
Exact Mass380.25
IUPAC Namebis(N,N-dimethylacetamide);methyl acetate;propan-2-one
SMILESCC(=O)N(C)C.CC(=O)N(C)C.CC(C)=O.COC(C)=O.COC(C)=O
InChIInChI=1S/2C4H9NO.2C3H6O2.C3H6O/c2*1-4(6)5(2)3;2*1-3(4)5-2;1-3(2)4/h2*1-3H3;2*1-2H3;1-2H3
InChIKeyUDPCXAFGHQIVRZ-UHFFFAOYSA-N
XLogP1.14
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

deuteride;methyl acetate;hydrate
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methyl acetate;ruthenium
CID 160799101
N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)
CID 159346586
argon;methyl acetate
CID 169424774
bismuthane;methyl acetate
CID 174537209
copper;methyl acetate
CID 174340034
methane;methyl acetate
CID 162094565
methane;methyl acetate
CID 158871569
azane;N,N-dimethylacetamide
CID 161145572
methyl acetate;titanium
CID 87665287
CID 159985177
CID 159985177
N,N-dimethylacetamide;formaldehyde
CID 54040691

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylacetamide);methyl acetate;propan-2-one?
The IUPAC name of bis(N,N-dimethylacetamide);methyl acetate;propan-2-one (CID 161062659) is bis(N,N-dimethylacetamide);methyl acetate;propan-2-one.
What is the SMILES notation for bis(N,N-dimethylacetamide);methyl acetate;propan-2-one?
The canonical SMILES for bis(N,N-dimethylacetamide);methyl acetate;propan-2-one is CC(=O)N(C)C.CC(=O)N(C)C.CC(C)=O.COC(C)=O.COC(C)=O.
What is the InChIKey of bis(N,N-dimethylacetamide);methyl acetate;propan-2-one?
The InChIKey is UDPCXAFGHQIVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO.2C3H6O2.C3H6O/c2*1-4(6)5(2)3;2*1-3(4)5-2;1-3(2)4/h2*1-3H3;2*1-2H3;1-2H3.
What are the key properties of bis(N,N-dimethylacetamide);methyl acetate;propan-2-one?
bis(N,N-dimethylacetamide);methyl acetate;propan-2-one has a molecular weight of 380.48 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylacetamide);methyl acetate;propan-2-one is sourced from PubChem (CID 161062659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).