3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide

C20H25N3O2 — CID 113120639

IUPAC3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)Cc1ccncc1
InChIInChI=1S/C20H25N3O2/c1-15(2)18-4-6-19(7-5-18)22-20(25)10-13-23(16(3)24)14-17-8-11-21-12-9-17/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,22,25)
InChIKeyOFXUDNLINZUCSM-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.58
Rot. Bonds7

About 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide

3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 113120639) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID113120639
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)Cc1ccncc1
InChIInChI=1S/C20H25N3O2/c1-15(2)18-4-6-19(7-5-18)22-20(25)10-13-23(16(3)24)14-17-8-11-21-12-9-17/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,22,25)
InChIKeyOFXUDNLINZUCSM-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120649
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113120713
3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide
CID 113120535
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113120650
3-(N-acetylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113123440
3-[acetyl(benzyl)amino]-N-(4-fluorophenyl)propanamide
CID 113118291
3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113125426
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119327
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113120489
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113122393
3-[acetyl(pyridin-4-ylmethyl)amino]-N-[3-(dimethylamino)propyl]propanamide
CID 113120552
3-(N-acetyl-3,5-dichloroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113134123

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide (CID 113120639) is 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C(C)C)cc1)Cc1ccncc1.
What is the InChIKey of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is OFXUDNLINZUCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(2)18-4-6-19(7-5-18)22-20(25)10-13-23(16(3)24)14-17-8-11-21-12-9-17/h4-9,11-12,15H,10,13-14H2,1-3H3,(H,22,25).
What are the key properties of 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide?
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113120639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).