1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide

C17H26N2O2 — CID 109055821

IUPAC1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C17H26N2O2/c1-5-8-12-18(4)16(20)14-10-9-11-15(13-14)17(21)19(6-2)7-3/h9-11,13H,5-8,12H2,1-4H3
InChIKeyHPPOVQXQIIPETL-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.04
Rot. Bonds7

About 1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide

1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide (PubChem CID 109055821) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
PubChem CID109055821
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)N(CC)CC)c1
InChIInChI=1S/C17H26N2O2/c1-5-8-12-18(4)16(20)14-10-9-11-15(13-14)17(21)19(6-2)7-3/h9-11,13H,5-8,12H2,1-4H3
InChIKeyHPPOVQXQIIPETL-UHFFFAOYSA-N
XLogP3.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-carbamothioyl-N-methylbenzamide
CID 24696924
1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109056371
2-N-butyl-6-N,6-N-diethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098960
3-N-butyl-3-N-methyl-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050938
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056441
3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056365
3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056374
3-N-butyl-1-N-(4-cyanophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056438
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
3-bromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695423

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide (CID 109055821) is 1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)N(CC)CC)c1.
What is the InChIKey of 1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is HPPOVQXQIIPETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-8-12-18(4)16(20)14-10-9-11-15(13-14)17(21)19(6-2)7-3/h9-11,13H,5-8,12H2,1-4H3.
What are the key properties of 1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide?
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109055821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).