bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea

C21H58N4O3 — CID 157392162

IUPACbis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea
SMILESC.C.C.C.C.CC(=O)N(C)C.CC(=O)N(C)C.CCC.CN(C)C(=O)N(C)C
InChIInChI=1S/C5H12N2O.2C4H9NO.C3H8.5CH4/c1-6(2)5(8)7(3)4;2*1-4(6)5(2)3;1-3-2;;;;;/h1-4H3;2*1-3H3;3H2,1-2H3;5*1H4
InChIKeyBMDDQTUGVODRPD-UHFFFAOYSA-N
MW414.72 g/mol
LogP5.02
Rot. Bonds

About bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea

bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea (PubChem CID 157392162) has the molecular formula C21H58N4O3 and a molecular weight of 414.72 g/mol. Its IUPAC name is bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea.

Molecular Properties

Compound Namebis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea
PubChem CID157392162
Molecular FormulaC21H58N4O3
Molecular Weight414.72 g/mol
Exact Mass414.45
IUPAC Namebis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea
SMILESC.C.C.C.C.CC(=O)N(C)C.CC(=O)N(C)C.CCC.CN(C)C(=O)N(C)C
InChIInChI=1S/C5H12N2O.2C4H9NO.C3H8.5CH4/c1-6(2)5(8)7(3)4;2*1-4(6)5(2)3;1-3-2;;;;;/h1-4H3;2*1-3H3;3H2,1-2H3;5*1H4
InChIKeyBMDDQTUGVODRPD-UHFFFAOYSA-N
XLogP5.02
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.72
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acetyl-methyl-methylideneazanium;N,N-dimethylacetamide;methane;1,1,3,3-tetramethylurea
CID 161136995
azane;N,N-dimethylacetamide
CID 161145572
acetaldehyde;acetic acid;N,N-dimethylacetamide;ethane;isocyanomethane;methane;propane
CID 160504709
N,N-dimethylacetamide;N,N-dimethylmethanamine;ethane;methane;N-methylacetamide;methyl acetate;propane;bis(propan-2-one)
CID 159346586
carbanide;N,N-dimethylacetamide;ethane;phosphane;bis(yttrium)
CID 160573879
N,N-dimethylacetamide;ethane-1,2-diol
CID 19046924
N,N-dimethylacetamide;molecular iodine
CID 158534416
N,N-dimethylacetamide;formaldehyde
CID 54040691
lithium;N,N-dimethylacetamide;chloride
CID 87129072
1,1,3,3-tetramethylurea;urea
CID 158796669
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
CID 173055527
N-acetyl-N-methylacetamide;ethane;methane
CID 158491582

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea?
The IUPAC name of bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea (CID 157392162) is bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea.
What is the SMILES notation for bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea?
The canonical SMILES for bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea is C.C.C.C.C.CC(=O)N(C)C.CC(=O)N(C)C.CCC.CN(C)C(=O)N(C)C.
What is the InChIKey of bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea?
The InChIKey is BMDDQTUGVODRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.2C4H9NO.C3H8.5CH4/c1-6(2)5(8)7(3)4;2*1-4(6)5(2)3;1-3-2;;;;;/h1-4H3;2*1-3H3;3H2,1-2H3;5*1H4.
What are the key properties of bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea?
bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea has a molecular weight of 414.72 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea is sourced from PubChem (CID 157392162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).