3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

C20H24N2O3 — CID 109051458

IUPAC3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C20H24N2O3/c1-4-14(2)22-20(24)17-7-5-6-16(12-17)19(23)21-13-15-8-10-18(25-3)11-9-15/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyXJHBPQNHPOZRIK-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.15
Rot. Bonds7

About 3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109051458) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109051458
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1cccc(C(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C20H24N2O3/c1-4-14(2)22-20(24)17-7-5-6-16(12-17)19(23)21-13-15-8-10-18(25-3)11-9-15/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyXJHBPQNHPOZRIK-UHFFFAOYSA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-butan-2-yl-4-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111183764
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
N-benzyl-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253278
N-benzyl-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 9253281
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
N-butan-2-yl-3-[[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111169215

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide (CID 109051458) is 3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide is CCC(C)NC(=O)c1cccc(C(=O)NCc2ccc(OC)cc2)c1.
What is the InChIKey of 3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is XJHBPQNHPOZRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-14(2)22-20(24)17-7-5-6-16(12-17)19(23)21-13-15-8-10-18(25-3)11-9-15/h5-12,14H,4,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide?
3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).