benzene;bis(N-methylacetamide);propane

C21H34N2O2 — CID 91325802

IUPACbenzene;bis(N-methylacetamide);propane
SMILESCCC.CNC(C)=O.CNC(C)=O.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2C3H7NO.C3H8/c2*1-2-4-6-5-3-1;2*1-3(5)4-2;1-3-2/h2*1-6H;2*1-2H3,(H,4,5);3H2,1-2H3
InChIKeyVGJKUPKEIPTIHM-UHFFFAOYSA-N
MW346.52 g/mol
LogP4.29
Rot. Bonds

About benzene;bis(N-methylacetamide);propane

benzene;bis(N-methylacetamide);propane (PubChem CID 91325802) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is benzene;bis(N-methylacetamide);propane.

Molecular Properties

Compound Namebenzene;bis(N-methylacetamide);propane
PubChem CID91325802
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC Namebenzene;bis(N-methylacetamide);propane
SMILESCCC.CNC(C)=O.CNC(C)=O.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.2C3H7NO.C3H8/c2*1-2-4-6-5-3-1;2*1-3(5)4-2;1-3-2/h2*1-6H;2*1-2H3,(H,4,5);3H2,1-2H3
InChIKeyVGJKUPKEIPTIHM-UHFFFAOYSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
Methylcarbamoylmethyl-triphenyl-phosphonium chloride
CID 85777853
2-[chloro(triphenyl)-lambda5-phosphanyl]-N-methylacetamide
CID 134977828
N-methyl-2-phenylselanylacetamide
CID 12156640
N-((Diphenylphosphoryl)methyl)acetamide
CID 13736987
diphenyl-N-methylcarbamoylmethylphosphine
CID 15199033
N-methyl-2-(diphenylphosphoryl)acetamide
CID 85547820
N-(3-triphenylstannylpropyl)acetamide
CID 313428
N-(methoxymethyl)-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 19038915
N-[[acetyl(methyl)amino]-diphenylsilyl]-N-methylacetamide
CID 19098720
N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 19906207
N-Methylacetamide--benzene (1/1)
CID 22601179

Frequently Asked Questions

What is the IUPAC name of benzene;bis(N-methylacetamide);propane?
The IUPAC name of benzene;bis(N-methylacetamide);propane (CID 91325802) is benzene;bis(N-methylacetamide);propane.
What is the SMILES notation for benzene;bis(N-methylacetamide);propane?
The canonical SMILES for benzene;bis(N-methylacetamide);propane is CCC.CNC(C)=O.CNC(C)=O.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;bis(N-methylacetamide);propane?
The InChIKey is VGJKUPKEIPTIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.2C3H7NO.C3H8/c2*1-2-4-6-5-3-1;2*1-3(5)4-2;1-3-2/h2*1-6H;2*1-2H3,(H,4,5);3H2,1-2H3.
What are the key properties of benzene;bis(N-methylacetamide);propane?
benzene;bis(N-methylacetamide);propane has a molecular weight of 346.52 g/mol, XLogP of 4.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(N-methylacetamide);propane is sourced from PubChem (CID 91325802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).