N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide

C20H24N2O2 — CID 108961721

IUPACN,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide
SMILESCc1ccccc1CNC(=O)C(C)(C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15-10-8-9-11-16(15)14-21-18(23)20(2,3)19(24)22(4)17-12-6-5-7-13-17/h5-13H,14H2,1-4H3,(H,21,23)
InChIKeyBQEMIHHWEXUYNS-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.30
Rot. Bonds5

About N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide

N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide (PubChem CID 108961721) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide
PubChem CID108961721
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide
SMILESCc1ccccc1CNC(=O)C(C)(C)C(=O)N(C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15-10-8-9-11-16(15)14-21-18(23)20(2,3)19(24)22(4)17-12-6-5-7-13-17/h5-13H,14H2,1-4H3,(H,21,23)
InChIKeyBQEMIHHWEXUYNS-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046812
N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961727
3-(azepan-1-yl)-2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108961716
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148018
N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide
CID 109019309
N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109188298
3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108960856
3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 110755430
N-(3-chloro-2-methylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961745
N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108966948
2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
CID 61205004
2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913207

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide?
The IUPAC name of N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide (CID 108961721) is N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide.
What is the SMILES notation for N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide?
The canonical SMILES for N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide is Cc1ccccc1CNC(=O)C(C)(C)C(=O)N(C)c1ccccc1.
What is the InChIKey of N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide?
The InChIKey is BQEMIHHWEXUYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-10-8-9-11-16(15)14-21-18(23)20(2,3)19(24)22(4)17-12-6-5-7-13-17/h5-13H,14H2,1-4H3,(H,21,23).
What are the key properties of N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide?
N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide has a molecular weight of 324.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N'-[(2-methylphenyl)methyl]-N-phenylpropanediamide is sourced from PubChem (CID 108961721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).