3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide

C17H26N2O2 — CID 109055819

IUPAC3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-5-19(6-2)17(21)15-9-7-8-14(12-15)16(20)18-11-10-13(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,18,20)
InChIKeyVVWCITOWYBAYMK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.94
Rot. Bonds7

About 3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide

3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide (PubChem CID 109055819) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
PubChem CID109055819
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-5-19(6-2)17(21)15-9-7-8-14(12-15)16(20)18-11-10-13(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,18,20)
InChIKeyVVWCITOWYBAYMK-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056257
N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide
CID 43107017
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056183
1-N-(3-methylbutyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054298
3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312
3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056207
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 111461509
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide (CID 109055819) is 3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide is CCN(CC)C(=O)c1cccc(C(=O)NCCC(C)C)c1.
What is the InChIKey of 3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The InChIKey is VVWCITOWYBAYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-19(6-2)17(21)15-9-7-8-14(12-15)16(20)18-11-10-13(3)4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,18,20).
What are the key properties of 3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).