1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide

C21H26N2O2 — CID 109056371

IUPAC1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)N(CC)c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-4-6-15-22(3)20(24)17-11-10-12-18(16-17)21(25)23(5-2)19-13-8-7-9-14-19/h7-14,16H,4-6,15H2,1-3H3
InChIKeyNPZJFMXZLHADFM-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.23
Rot. Bonds7

About 1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide

1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 109056371) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
PubChem CID109056371
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)N(CC)c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-4-6-15-22(3)20(24)17-11-10-12-18(16-17)21(25)23(5-2)19-13-8-7-9-14-19/h7-14,16H,4-6,15H2,1-3H3
InChIKeyNPZJFMXZLHADFM-UHFFFAOYSA-N
XLogP4.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butyl-4-N-ethyl-1-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048818
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
CID 109055821
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
N-butyl-3-carbamothioyl-N-methylbenzamide
CID 24696924
4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109090030
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
3-(2,2-dimethylpropyl)-N-ethyl-N-phenylbenzamide
CID 59836650
2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264001
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide (CID 109056371) is 1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)N(CC)c2ccccc2)c1.
What is the InChIKey of 1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is NPZJFMXZLHADFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-6-15-22(3)20(24)17-11-10-12-18(16-17)21(25)23(5-2)19-13-8-7-9-14-19/h7-14,16H,4-6,15H2,1-3H3.
What are the key properties of 1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide?
1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.23, 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-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).