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

C19H23N3O3 — CID 113055446

IUPACN-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide
SMILESCC(=O)N(CCNC(=O)CCOc1ccccc1)Cc1ccncc1
InChIInChI=1S/C19H23N3O3/c1-16(23)22(15-17-7-10-20-11-8-17)13-12-21-19(24)9-14-25-18-5-3-2-4-6-18/h2-8,10-11H,9,12-15H2,1H3,(H,21,24)
InChIKeyYLYDERRLKFAMBX-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.02
Rot. Bonds9

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

N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide (PubChem CID 113055446) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide
PubChem CID113055446
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide
SMILESCC(=O)N(CCNC(=O)CCOc1ccccc1)Cc1ccncc1
InChIInChI=1S/C19H23N3O3/c1-16(23)22(15-17-7-10-20-11-8-17)13-12-21-19(24)9-14-25-18-5-3-2-4-6-18/h2-8,10-11H,9,12-15H2,1H3,(H,21,24)
InChIKeyYLYDERRLKFAMBX-UHFFFAOYSA-N
XLogP2.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438
N-[2-[acetyl-[(2-fluorophenyl)methyl]amino]ethyl]-3-phenoxypropanamide
CID 113054565
N-[2-[acetyl(2-methylpropyl)amino]ethyl]-3-phenoxypropanamide
CID 113052545
3-[acetyl(pyridin-4-ylmethyl)amino]-N-[3-(dimethylamino)propyl]propanamide
CID 113120552
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide
CID 113057079
N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
CID 113058428
N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993704
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113058113
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate
CID 113055468
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113055411

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide (CID 113055446) is N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide is CC(=O)N(CCNC(=O)CCOc1ccccc1)Cc1ccncc1.
What is the InChIKey of N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide?
The InChIKey is YLYDERRLKFAMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-16(23)22(15-17-7-10-20-11-8-17)13-12-21-19(24)9-14-25-18-5-3-2-4-6-18/h2-8,10-11H,9,12-15H2,1H3,(H,21,24).
What are the key properties of N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide?
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide has a molecular weight of 341.41 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 113055446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).