3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide

C20H25N3O3 — CID 113120193

IUPAC3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCN(Cc2ccccn2)C(C)=O)cc1
InChIInChI=1S/C20H25N3O3/c1-16(24)23(15-18-5-3-4-12-21-18)14-11-20(25)22-13-10-17-6-8-19(26-2)9-7-17/h3-9,12H,10-11,13-15H2,1-2H3,(H,22,25)
InChIKeyOZIVQUWDYKTJJX-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.19
Rot. Bonds9

About 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide

3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 113120193) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID113120193
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCN(Cc2ccccn2)C(C)=O)cc1
InChIInChI=1S/C20H25N3O3/c1-16(24)23(15-18-5-3-4-12-21-18)14-11-20(25)22-13-10-17-6-8-19(26-2)9-7-17/h3-9,12H,10-11,13-15H2,1-2H3,(H,22,25)
InChIKeyOZIVQUWDYKTJJX-UHFFFAOYSA-N
XLogP2.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113120216
3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113120157
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113120272
1-(furan-2-ylmethyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)urea
CID 52906824
3-(N-acetyl-2-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113125200
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide
CID 113119864
1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea
CID 60547411
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 113120193) is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCN(Cc2ccccn2)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is OZIVQUWDYKTJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-16(24)23(15-18-5-3-4-12-21-18)14-11-20(25)22-13-10-17-6-8-19(26-2)9-7-17/h3-9,12H,10-11,13-15H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 113120193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).