1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide

C15H22N2O2 — CID 793999

IUPAC1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)17(11(3)4)15(19)13-8-6-12(7-9-13)14(18)16-5/h6-11H,1-5H3,(H,16,18)
InChIKeyOKQOPPMCISNEKH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.31
Rot. Bonds4

About 1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide

1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide (PubChem CID 793999) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide
PubChem CID793999
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1
InChIInChI=1S/C15H22N2O2/c1-10(2)17(11(3)4)15(19)13-8-6-12(7-9-13)14(18)16-5/h6-11H,1-5H3,(H,16,18)
InChIKeyOKQOPPMCISNEKH-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-N,N-di(propan-2-yl)benzamide
CID 98000579
4-[2-[4-[4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethynyl]-N-[4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethynyl]phenyl]anilino]phenyl]ethynyl]-N,N-di(propan-2-yl)benzamide
CID 142414670
4-(propanoylamino)-N,N-di(propan-2-yl)benzamide
CID 110178310
N,N-di(propan-2-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 15986677
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
N-methyl-4-(1-methylsulfanylethyl)benzamide
CID 59428965
4-[(1R)-1-(dimethylamino)-2-methylpropyl]-N-methylbenzamide
CID 118928753
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide
CID 11954
4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide
CID 3647584
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide
CID 134213133

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide (CID 793999) is 1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide is CNC(=O)c1ccc(C(=O)N(C(C)C)C(C)C)cc1.
What is the InChIKey of 1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide?
The InChIKey is OKQOPPMCISNEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)17(11(3)4)15(19)13-8-6-12(7-9-13)14(18)16-5/h6-11H,1-5H3,(H,16,18).
What are the key properties of 1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide?
1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 793999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).