acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)

C60H113N7O9 — CID 162014823

IUPACacetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC(N)=O.CNC.CNC.CNC(=O)c1ccc(C=O)cc1.CNC(=O)c1ccc(C=O)cc1.CNC(=O)c1ccc(C=O)cc1.CNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/4C9H9NO2.C2H5NO.2C2H7N.7C2H6.4CH4/c4*1-10-9(12)8-4-2-7(6-11)3-5-8;1-2(3)4;2*1-3-2;7*1-2;;;;/h4*2-6H,1H3,(H,10,12);1H3,(H2,3,4);2*3H,1-2H3;7*1-2H3;4*1H4
InChIKeyYTYRYZMYOQUCNE-UHFFFAOYSA-N
MW1076.60 g/mol
LogP12.33
Rot. Bonds8

About acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)

acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine) (PubChem CID 162014823) has the molecular formula C60H113N7O9 and a molecular weight of 1076.60 g/mol. Its IUPAC name is acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine).

Molecular Properties

Compound Nameacetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)
PubChem CID162014823
Molecular FormulaC60H113N7O9
Molecular Weight1076.60 g/mol
Exact Mass1075.86
IUPAC Nameacetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC(N)=O.CNC.CNC.CNC(=O)c1ccc(C=O)cc1.CNC(=O)c1ccc(C=O)cc1.CNC(=O)c1ccc(C=O)cc1.CNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/4C9H9NO2.C2H5NO.2C2H7N.7C2H6.4CH4/c4*1-10-9(12)8-4-2-7(6-11)3-5-8;1-2(3)4;2*1-3-2;7*1-2;;;;/h4*2-6H,1H3,(H,10,12);1H3,(H2,3,4);2*3H,1-2H3;7*1-2H3;4*1H4
InChIKeyYTYRYZMYOQUCNE-UHFFFAOYSA-N
XLogP12.33
TPSA251.83 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001076.60
LogP ≤ 512.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one
CID 157370340
4-formylbenzamide;methanamine
CID 144619239
4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one
CID 123381440
4-[(E)-2-[4-(methylcarbamoyl)phenyl]ethenyl]benzoic acid
CID 134941403
4-[(E)-2-bromoethenyl]-N-methylbenzamide
CID 165471194
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
CID 88940421
ethane;methyl 4-formylbenzoate
CID 91069506
4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
CID 641325
5-formyl-2-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 90104682
4-hydrazinyl-N-methylbenzamide
CID 20649402
[4-(methylcarbamoyl)phenyl] carbamate
CID 20789580
methylamino 4-formylbenzoate
CID 166845078

Frequently Asked Questions

What is the IUPAC name of acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)?
The IUPAC name of acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine) (CID 162014823) is acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine).
What is the SMILES notation for acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)?
The canonical SMILES for acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine) is C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC(N)=O.CNC.CNC.CNC(=O)c1ccc(C=O)cc1.CNC(=O)c1ccc(C=O)cc1.CNC(=O)c1ccc(C=O)cc1.CNC(=O)c1ccc(C=O)cc1.
What is the InChIKey of acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)?
The InChIKey is YTYRYZMYOQUCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H9NO2.C2H5NO.2C2H7N.7C2H6.4CH4/c4*1-10-9(12)8-4-2-7(6-11)3-5-8;1-2(3)4;2*1-3-2;7*1-2;;;;/h4*2-6H,1H3,(H,10,12);1H3,(H2,3,4);2*3H,1-2H3;7*1-2H3;4*1H4.
What are the key properties of acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)?
acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine) has a molecular weight of 1076.60 g/mol, XLogP of 12.33, 8 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine) is sourced from PubChem (CID 162014823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).