acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one

C37H76N2O5 — CID 157370340

IUPACacetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC(N)=O.CCC(=O)c1ccc(OC)cc1.CNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C10H12O2.C9H9NO2.C2H5NO.7C2H6.2CH4/c1-3-10(11)8-4-6-9(12-2)7-5-8;1-10-9(12)8-4-2-7(6-11)3-5-8;1-2(3)4;7*1-2;;/h4-7H,3H2,1-2H3;2-6H,1H3,(H,10,12);1H3,(H2,3,4);7*1-2H3;2*1H4
InChIKeyBJRMMRCLAQOJIJ-UHFFFAOYSA-N
MW629.02 g/mol
LogP11.09
Rot. Bonds5

About acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one

acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one (PubChem CID 157370340) has the molecular formula C37H76N2O5 and a molecular weight of 629.02 g/mol. Its IUPAC name is acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Nameacetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one
PubChem CID157370340
Molecular FormulaC37H76N2O5
Molecular Weight629.02 g/mol
Exact Mass628.58
IUPAC Nameacetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC(N)=O.CCC(=O)c1ccc(OC)cc1.CNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C10H12O2.C9H9NO2.C2H5NO.7C2H6.2CH4/c1-3-10(11)8-4-6-9(12-2)7-5-8;1-10-9(12)8-4-2-7(6-11)3-5-8;1-2(3)4;7*1-2;;/h4-7H,3H2,1-2H3;2-6H,1H3,(H,10,12);1H3,(H2,3,4);7*1-2H3;2*1H4
InChIKeyBJRMMRCLAQOJIJ-UHFFFAOYSA-N
XLogP11.09
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.02
LogP ≤ 511.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-formyl-N-methylbenzamide;1-(4-methoxyphenyl)propan-1-one
CID 123381440
acetamide;ethane;tetrakis(4-formyl-N-methylbenzamide);methane;bis(N-methylmethanamine)
CID 162014823
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
1-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]propan-1-one
CID 139662711
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate
CID 130305051
3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
CID 16751964
4-tert-butylbenzaldehyde;4-tert-butylbenzoic acid;1-(4-tert-butylphenyl)-3-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-one;1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione;ethane;bis(1-(4-methoxyphenyl)ethanone)
CID 159879994
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
ethyl 3-(4-methoxyphenyl)-3-oxopropanoate;1-(4-methoxyphenyl)ethanone
CID 158865973
4-[(E)-3-[1-(4-methoxyphenyl)propylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002714

Frequently Asked Questions

What is the IUPAC name of acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one (CID 157370340) is acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one is C.C.CC.CC.CC.CC.CC.CC.CC.CC(N)=O.CCC(=O)c1ccc(OC)cc1.CNC(=O)c1ccc(C=O)cc1.
What is the InChIKey of acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one?
The InChIKey is BJRMMRCLAQOJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C9H9NO2.C2H5NO.7C2H6.2CH4/c1-3-10(11)8-4-6-9(12-2)7-5-8;1-10-9(12)8-4-2-7(6-11)3-5-8;1-2(3)4;7*1-2;;/h4-7H,3H2,1-2H3;2-6H,1H3,(H,10,12);1H3,(H2,3,4);7*1-2H3;2*1H4.
What are the key properties of acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one?
acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one has a molecular weight of 629.02 g/mol, XLogP of 11.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;ethane;4-formyl-N-methylbenzamide;methane;1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 157370340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).