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

C19H22N2O2 — CID 108953543

IUPACN-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
SMILESCCN(C(=O)CC(=O)Nc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-4-21(16-8-6-5-7-9-16)19(23)13-18(22)20-17-12-14(2)10-11-15(17)3/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyWYMXNFKBORLSHO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.69
Rot. Bonds5

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

N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide (PubChem CID 108953543) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
PubChem CID108953543
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
SMILESCCN(C(=O)CC(=O)Nc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-4-21(16-8-6-5-7-9-16)19(23)13-18(22)20-17-12-14(2)10-11-15(17)3/h5-12H,4,13H2,1-3H3,(H,20,22)
InChIKeyWYMXNFKBORLSHO-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.69
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-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953156
N-(2,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953533
3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113123430
N-[5-[[2-(N-ethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844732
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide
CID 108954109
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-(3,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953668
N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide
CID 108954333
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide
CID 108954138
2-[carboxymethyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]acetic acid
CID 12552996
N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967923
N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
CID 108953594

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide (CID 108953543) is N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide is CCN(C(=O)CC(=O)Nc1cc(C)ccc1C)c1ccccc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide?
The InChIKey is WYMXNFKBORLSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-21(16-8-6-5-7-9-16)19(23)13-18(22)20-17-12-14(2)10-11-15(17)3/h5-12H,4,13H2,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide?
N-(2,5-dimethylphenyl)-N'-ethyl-N'-phenylpropanediamide has a molecular weight of 310.40 g/mol, XLogP of 3.69, 5 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'-ethyl-N'-phenylpropanediamide is sourced from PubChem (CID 108953543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).