3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide

C20H24N2O2 — CID 109051525

IUPAC3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
SMILESCCc1ccc(NC(=O)c2cccc(C(=O)NC(C)CC)c2)cc1
InChIInChI=1S/C20H24N2O2/c1-4-14(3)21-19(23)16-7-6-8-17(13-16)20(24)22-18-11-9-15(5-2)10-12-18/h6-14H,4-5H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPIQWZDXCIMKAQD-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.03
Rot. Bonds6

About 3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide

3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109051525) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
PubChem CID109051525
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
SMILESCCc1ccc(NC(=O)c2cccc(C(=O)NC(C)CC)c2)cc1
InChIInChI=1S/C20H24N2O2/c1-4-14(3)21-19(23)16-7-6-8-17(13-16)20(24)22-18-11-9-15(5-2)10-12-18/h6-14H,4-5H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyPIQWZDXCIMKAQD-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-butan-2-yl-3-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102383
3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109056003
3-N-(4-ethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050379
3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 109051577
N-[(2R)-butan-2-yl]-3-[(3-chlorobenzoyl)amino]benzamide
CID 42427435
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
1-N-(3-acetylphenyl)-4-N-butan-2-ylbenzene-1,4-dicarboxamide
CID 109044154
N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17198935
methyl 3-[[4-(butan-2-ylcarbamoyl)benzoyl]amino]benzoate
CID 109044159
3-N-butan-2-yl-1-N-(2-ethyl-6-methylphenyl)benzene-1,3-dicarboxamide
CID 109051527
methyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17201378
N-(4-ethylphenyl)benzamide
CID 774063

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide (CID 109051525) is 3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide is CCc1ccc(NC(=O)c2cccc(C(=O)NC(C)CC)c2)cc1.
What is the InChIKey of 3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is PIQWZDXCIMKAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-14(3)21-19(23)16-7-6-8-17(13-16)20(24)22-18-11-9-15(5-2)10-12-18/h6-14H,4-5H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide?
3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).