3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide

C20H25N3O2 — CID 113125538

IUPAC3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1cccc(C)c1N(CCC(=O)NCc1cccnc1)C(C)=O
InChIInChI=1S/C20H25N3O2/c1-4-18-9-5-7-15(2)20(18)23(16(3)24)12-10-19(25)22-14-17-8-6-11-21-13-17/h5-9,11,13H,4,10,12,14H2,1-3H3,(H,22,25)
InChIKeyNSBMGCKYMDCCAO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.01
Rot. Bonds7

About 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide

3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 113125538) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID113125538
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide
SMILESCCc1cccc(C)c1N(CCC(=O)NCc1cccnc1)C(C)=O
InChIInChI=1S/C20H25N3O2/c1-4-18-9-5-7-15(2)20(18)23(16(3)24)12-10-19(25)22-14-17-8-6-11-21-13-17/h5-9,11,13H,4,10,12,14H2,1-3H3,(H,22,25)
InChIKeyNSBMGCKYMDCCAO-UHFFFAOYSA-N
XLogP3.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-4-ethylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125365
3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113125531
3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113124832
3-(N-acetyl-2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113134300
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113125511
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
N'-(2-ethyl-6-methylphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947663
3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113116146
N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide
CID 113125623
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113119744
3-(N-acetyl-2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113124845
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113142594

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide (CID 113125538) is 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide is CCc1cccc(C)c1N(CCC(=O)NCc1cccnc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is NSBMGCKYMDCCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-18-9-5-7-15(2)20(18)23(16(3)24)12-10-19(25)22-14-17-8-6-11-21-13-17/h5-9,11,13H,4,10,12,14H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide?
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 113125538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).