N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide

C18H20N2O2 — CID 108953156

IUPACN-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide
SMILESCc1ccc(C)c(NC(=O)CC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-13-9-10-14(2)16(11-13)19-17(21)12-18(22)20(3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyIOYYISKGRGMMJL-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.30
Rot. Bonds4

About N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide

N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide (PubChem CID 108953156) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide
PubChem CID108953156
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide
SMILESCc1ccc(C)c(NC(=O)CC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-13-9-10-14(2)16(11-13)19-17(21)12-18(22)20(3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyIOYYISKGRGMMJL-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
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

N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953221
N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108953543
N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953174
3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113123430
2-[carboxymethyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]acetic acid
CID 12552996
N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
CID 108953594
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
CID 171154393
2-(2,4-dimethylphenyl)-N-methyl-N-phenylacetamide
CID 100585469
N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953194
1-(2,5-dimethylphenyl)-3-[3-(N-methylanilino)propyl]urea
CID 3822405
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide (CID 108953156) is N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide is Cc1ccc(C)c(NC(=O)CC(=O)N(C)c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide?
The InChIKey is IOYYISKGRGMMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-9-10-14(2)16(11-13)19-17(21)12-18(22)20(3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide?
N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide has a molecular weight of 296.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide is sourced from PubChem (CID 108953156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).