N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide

C19H23N3O2 — CID 108948933

IUPACN-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C19H23N3O2/c1-3-16-6-4-5-7-17(16)21-18(23)14-19(24)22(2)13-10-15-8-11-20-12-9-15/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,21,23)
InChIKeyUKAMBNMALBYEQR-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.67
Rot. Bonds7

About N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide

N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide (PubChem CID 108948933) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
PubChem CID108948933
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C19H23N3O2/c1-3-16-6-4-5-7-17(16)21-18(23)14-19(24)22(2)13-10-15-8-11-20-12-9-15/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,21,23)
InChIKeyUKAMBNMALBYEQR-UHFFFAOYSA-N
XLogP2.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.67
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

N-(2-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948946
ethyl 2-[[3-[methyl(2-pyridin-4-ylethyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108949017
3-(2-ethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026051
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948987
N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948960
2-(2-bromophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 56826483
N-(2-ethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237095
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110436877
3-ethoxy-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-(pyridin-4-ylmethoxy)benzamide
CID 46597652

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The IUPAC name of N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide (CID 108948933) is N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide is CCc1ccccc1NC(=O)CC(=O)N(C)CCc1ccncc1.
What is the InChIKey of N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The InChIKey is UKAMBNMALBYEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-16-6-4-5-7-17(16)21-18(23)14-19(24)22(2)13-10-15-8-11-20-12-9-15/h4-9,11-12H,3,10,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide?
N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide has a molecular weight of 325.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide is sourced from PubChem (CID 108948933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).