N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide

C20H24N2O2 — CID 108953169

IUPACN'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide
SMILESCc1cccc(C(C)C)c1NC(=O)CC(=O)N(C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14(2)17-12-8-9-15(3)20(17)21-18(23)13-19(24)22(4)16-10-6-5-7-11-16/h5-12,14H,13H2,1-4H3,(H,21,23)
InChIKeyONBAMMNIYXVLHT-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.11
Rot. Bonds5

About N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide

N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide (PubChem CID 108953169) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide.

Molecular Properties

Compound NameN'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide
PubChem CID108953169
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide
SMILESCc1cccc(C(C)C)c1NC(=O)CC(=O)N(C)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-14(2)17-12-8-9-15(3)20(17)21-18(23)13-19(24)22(4)16-10-6-5-7-11-16/h5-12,14H,13H2,1-4H3,(H,21,23)
InChIKeyONBAMMNIYXVLHT-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
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

N',N'-diethyl-N-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108951086
3-(N-ethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109036517
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
CID 4881413
3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
2-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913236
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
2-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2112763

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide?
The IUPAC name of N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide (CID 108953169) is N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide.
What is the SMILES notation for N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide?
The canonical SMILES for N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide is Cc1cccc(C(C)C)c1NC(=O)CC(=O)N(C)c1ccccc1.
What is the InChIKey of N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide?
The InChIKey is ONBAMMNIYXVLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14(2)17-12-8-9-15(3)20(17)21-18(23)13-19(24)22(4)16-10-6-5-7-11-16/h5-12,14H,13H2,1-4H3,(H,21,23).
What are the key properties of N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide?
N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide has a molecular weight of 324.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methyl-6-propan-2-ylphenyl)-N'-phenylpropanediamide is sourced from PubChem (CID 108953169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).