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

C20H24N2O2 — CID 109051451

IUPAC1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-4-14(2)21-19(23)17-11-8-12-18(13-17)20(24)22-15(3)16-9-6-5-7-10-16/h5-15H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRIGGLFAWCXLLNT-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.71
Rot. Bonds6

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

1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide (PubChem CID 109051451) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
PubChem CID109051451
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C20H24N2O2/c1-4-14(2)21-19(23)17-11-8-12-18(13-17)20(24)22-15(3)16-9-6-5-7-10-16/h5-15H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRIGGLFAWCXLLNT-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051265
N-butan-2-yl-3-[[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]methyl]benzamide
CID 110948288
1-N-butyl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051078
N-butan-2-yl-3-[[2-(1-phenylethylamino)acetyl]amino]benzamide
CID 54814951
3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829287
N-butan-2-yl-3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]benzamide
CID 110948290
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324
3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide
CID 109053638
5-(1-phenylethylcarbamoyl)benzene-1,3-dicarboxylic acid;sulfanylidenephosphane
CID 159120234
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide (CID 109051451) is 1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide is CCC(C)NC(=O)c1cccc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
The InChIKey is RIGGLFAWCXLLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-14(2)21-19(23)17-11-8-12-18(13-17)20(24)22-15(3)16-9-6-5-7-10-16/h5-15H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide?
1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).