3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide

C20H24N2O3 — CID 134057132

IUPAC3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)19(24)22-16-9-6-8-15(12-16)18(23)21-13-14-7-5-10-17(11-14)25-4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyQFFBPMNOURFVPV-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.61
Rot. Bonds5

About 3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide

3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 134057132) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID134057132
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)19(24)22-16-9-6-8-15(12-16)18(23)21-13-14-7-5-10-17(11-14)25-4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyQFFBPMNOURFVPV-UHFFFAOYSA-N
XLogP3.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 39906130
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55527244
N-[(4-cyanophenyl)methyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134035544
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
3-[(3-methoxyphenyl)methylamino]-N-methylbenzamide
CID 28650224
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
3-(2,2-dimethylpropanoylamino)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]benzamide
CID 46582053
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
N-[(3-methoxyphenyl)methyl]-3-(quinoxalin-2-ylamino)benzamide
CID 22425545
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide (CID 134057132) is 3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2cccc(NC(=O)C(C)(C)C)c2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is QFFBPMNOURFVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)19(24)22-16-9-6-8-15(12-16)18(23)21-13-14-7-5-10-17(11-14)25-4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide?
3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 134057132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).