N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide

C22H28N2O3 — CID 108963293

IUPACN-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)(C)C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C22H28N2O3/c1-6-24(15-17-10-8-7-9-11-17)21(26)22(3,4)20(25)23-18-14-16(2)12-13-19(18)27-5/h7-14H,6,15H2,1-5H3,(H,23,25)
InChIKeyJGRVLBBSAVQKEX-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.02
Rot. Bonds7

About N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide

N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108963293) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
PubChem CID108963293
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)C(C)(C)C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C22H28N2O3/c1-6-24(15-17-10-8-7-9-11-17)21(26)22(3,4)20(25)23-18-14-16(2)12-13-19(18)27-5/h7-14H,6,15H2,1-5H3,(H,23,25)
InChIKeyJGRVLBBSAVQKEX-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108963306
N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969573
N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108963266
2-[acetyl(benzyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113161291
N-benzyl-N-ethyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108963299
N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108967888
N-[5-[[benzyl(ethyl)carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 51080356
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836
N-benzyl-N'-(4-chloro-2-methoxy-5-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108962370
N-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108969538
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-N',N'-dipropylpropanediamide
CID 108966884

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide (CID 108963293) is N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide is CCN(Cc1ccccc1)C(=O)C(C)(C)C(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is JGRVLBBSAVQKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-24(15-17-10-8-7-9-11-17)21(26)22(3,4)20(25)23-18-14-16(2)12-13-19(18)27-5/h7-14H,6,15H2,1-5H3,(H,23,25).
What are the key properties of N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide?
N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 368.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108963293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).