benzene;N-methylacetamide;methylurea;propane

C20H33N3O2 — CID 91073414

IUPACbenzene;N-methylacetamide;methylurea;propane
SMILESCCC.CNC(C)=O.CNC(N)=O.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C3H7NO.C3H8.C2H6N2O/c2*1-2-4-6-5-3-1;1-3(5)4-2;1-3-2;1-4-2(3)5/h2*1-6H;1-2H3,(H,4,5);3H2,1-2H3;1H3,(H3,3,4,5)
InChIKeyUQUBPKUJONAGHJ-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.83
Rot. Bonds

About benzene;N-methylacetamide;methylurea;propane

benzene;N-methylacetamide;methylurea;propane (PubChem CID 91073414) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is benzene;N-methylacetamide;methylurea;propane.

Molecular Properties

Compound Namebenzene;N-methylacetamide;methylurea;propane
PubChem CID91073414
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Namebenzene;N-methylacetamide;methylurea;propane
SMILESCCC.CNC(C)=O.CNC(N)=O.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C3H7NO.C3H8.C2H6N2O/c2*1-2-4-6-5-3-1;1-3(5)4-2;1-3-2;1-4-2(3)5/h2*1-6H;1-2H3,(H,4,5);3H2,1-2H3;1H3,(H3,3,4,5)
InChIKeyUQUBPKUJONAGHJ-UHFFFAOYSA-N
XLogP3.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-((Diphenylphosphoryl)methyl)acetamide
CID 13736987
diphenyl-N-methylcarbamoylmethylphosphine
CID 15199033
N-methyl-2-(diphenylphosphoryl)acetamide
CID 85547820
N-methyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 19906207
N-Methylacetamide--benzene (1/1)
CID 22601179
N-[[methyl-[methyl-(methylaminomethyl)-phenylsilyl]oxy-phenylsilyl]methyl]acetamide
CID 53715134
benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide
CID 54044573
benzene;ethane;N-methylacetamide
CID 54573873
benzene;1,3-dimethylurea;methyl N-methylcarbamate
CID 90708929
benzene;N-(methylaminomethyl)acetamide;propan-2-one
CID 90888197
Benzene;1,3-dimethylurea;methylimino(oxo)methane
CID 90931787
Benzene;1,3-dimethylurea;ethane
CID 90938222

Frequently Asked Questions

What is the IUPAC name of benzene;N-methylacetamide;methylurea;propane?
The IUPAC name of benzene;N-methylacetamide;methylurea;propane (CID 91073414) is benzene;N-methylacetamide;methylurea;propane.
What is the SMILES notation for benzene;N-methylacetamide;methylurea;propane?
The canonical SMILES for benzene;N-methylacetamide;methylurea;propane is CCC.CNC(C)=O.CNC(N)=O.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;N-methylacetamide;methylurea;propane?
The InChIKey is UQUBPKUJONAGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.C3H7NO.C3H8.C2H6N2O/c2*1-2-4-6-5-3-1;1-3(5)4-2;1-3-2;1-4-2(3)5/h2*1-6H;1-2H3,(H,4,5);3H2,1-2H3;1H3,(H3,3,4,5).
What are the key properties of benzene;N-methylacetamide;methylurea;propane?
benzene;N-methylacetamide;methylurea;propane has a molecular weight of 347.50 g/mol, XLogP of 3.83, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-methylacetamide;methylurea;propane is sourced from PubChem (CID 91073414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).