methanamine;bis(N-methylbenzamide);1-phenylethanone

C25H31N3O3 — CID 161091192

IUPACmethanamine;bis(N-methylbenzamide);1-phenylethanone
SMILESCC(=O)c1ccccc1.CN.CNC(=O)c1ccccc1.CNC(=O)c1ccccc1
InChIInChI=1S/2C8H9NO.C8H8O.CH5N/c2*1-9-8(10)7-5-3-2-4-6-7;1-7(9)8-5-3-2-4-6-8;1-2/h2*2-6H,1H3,(H,9,10);2-6H,1H3;2H2,1H3
InChIKeyUHEURPSANANDTG-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.56
Rot. Bonds3

About methanamine;bis(N-methylbenzamide);1-phenylethanone

methanamine;bis(N-methylbenzamide);1-phenylethanone (PubChem CID 161091192) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is methanamine;bis(N-methylbenzamide);1-phenylethanone.

Molecular Properties

Compound Namemethanamine;bis(N-methylbenzamide);1-phenylethanone
PubChem CID161091192
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Namemethanamine;bis(N-methylbenzamide);1-phenylethanone
SMILESCC(=O)c1ccccc1.CN.CNC(=O)c1ccccc1.CNC(=O)c1ccccc1
InChIInChI=1S/2C8H9NO.C8H8O.CH5N/c2*1-9-8(10)7-5-3-2-4-6-7;1-7(9)8-5-3-2-4-6-8;1-2/h2*2-6H,1H3,(H,9,10);2-6H,1H3;2H2,1H3
InChIKeyUHEURPSANANDTG-UHFFFAOYSA-N
XLogP3.56
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methylbenzamide
CID 11954
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595
CID 66812751
CID 66812751
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
iron;1-phenylethanone
CID 70488357
lithium 1-phenylethanone
CID 22269591
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
N-methylbenzamide;sulfuryl dichloride
CID 158851255
1-phenylethanone;hydrate;hydrochloride
CID 21258111

Frequently Asked Questions

What is the IUPAC name of methanamine;bis(N-methylbenzamide);1-phenylethanone?
The IUPAC name of methanamine;bis(N-methylbenzamide);1-phenylethanone (CID 161091192) is methanamine;bis(N-methylbenzamide);1-phenylethanone.
What is the SMILES notation for methanamine;bis(N-methylbenzamide);1-phenylethanone?
The canonical SMILES for methanamine;bis(N-methylbenzamide);1-phenylethanone is CC(=O)c1ccccc1.CN.CNC(=O)c1ccccc1.CNC(=O)c1ccccc1.
What is the InChIKey of methanamine;bis(N-methylbenzamide);1-phenylethanone?
The InChIKey is UHEURPSANANDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9NO.C8H8O.CH5N/c2*1-9-8(10)7-5-3-2-4-6-7;1-7(9)8-5-3-2-4-6-8;1-2/h2*2-6H,1H3,(H,9,10);2-6H,1H3;2H2,1H3.
What are the key properties of methanamine;bis(N-methylbenzamide);1-phenylethanone?
methanamine;bis(N-methylbenzamide);1-phenylethanone has a molecular weight of 421.54 g/mol, XLogP of 3.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;bis(N-methylbenzamide);1-phenylethanone is sourced from PubChem (CID 161091192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).