benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide

C18H38N2O — CID 54044573

IUPACbenzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide
SMILESCC.CC.CCCN(C)C.CNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C5H13N.C3H7NO.2C2H6/c1-2-4-6-5-3-1;1-4-5-6(2)3;1-3(5)4-2;2*1-2/h1-6H;4-5H2,1-3H3;1-2H3,(H,4,5);2*1-2H3
InChIKeyLOQSKPCHKLJGHT-UHFFFAOYSA-N
MW298.52 g/mol
LogP4.45
Rot. Bonds2

About benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide

benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide (PubChem CID 54044573) has the molecular formula C18H38N2O and a molecular weight of 298.52 g/mol. Its IUPAC name is benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide.

Molecular Properties

Compound Namebenzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide
PubChem CID54044573
Molecular FormulaC18H38N2O
Molecular Weight298.52 g/mol
Exact Mass298.30
IUPAC Namebenzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide
SMILESCC.CC.CCCN(C)C.CNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C5H13N.C3H7NO.2C2H6/c1-2-4-6-5-3-1;1-4-5-6(2)3;1-3(5)4-2;2*1-2/h1-6H;4-5H2,1-3H3;1-2H3,(H,4,5);2*1-2H3
InChIKeyLOQSKPCHKLJGHT-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N,N'-((methylphenylgermylene)bis(thio(2-methyl-2,1-ethanediyl)))bis-
CID 16684695
2-fluoro-N-methyl-2-phenylselanylacetamide
CID 11413907
N-methyl-2-phenylselanylacetamide
CID 12156640
N-[1-[dimethyl(phenyl)silyl]propyl]acetamide
CID 11075395
N-(1-phenylselanylhexan-2-yl)acetamide
CID 12758741
N-(1-phenylselanylpentyl)acetamide
CID 139264953
N-(1-phenylselanylheptyl)acetamide
CID 139264954
N-(1-phenylselanylnonyl)acetamide
CID 139264955
N-(1-phenylselanylundecyl)acetamide
CID 139264956
N-(3-phenylselanylheptan-4-yl)acetamide
CID 139264958
N-[[dimethyl(phenyl)silyl]methyl]acetamide
CID 262877
N-(3-triphenylstannylpropyl)acetamide
CID 313428

Frequently Asked Questions

What is the IUPAC name of benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide?
The IUPAC name of benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide (CID 54044573) is benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide.
What is the SMILES notation for benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide?
The canonical SMILES for benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide is CC.CC.CCCN(C)C.CNC(C)=O.c1ccccc1.
What is the InChIKey of benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide?
The InChIKey is LOQSKPCHKLJGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H13N.C3H7NO.2C2H6/c1-2-4-6-5-3-1;1-4-5-6(2)3;1-3(5)4-2;2*1-2/h1-6H;4-5H2,1-3H3;1-2H3,(H,4,5);2*1-2H3.
What are the key properties of benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide?
benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide has a molecular weight of 298.52 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N,N-dimethylpropan-1-amine;ethane;N-methylacetamide is sourced from PubChem (CID 54044573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).