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

C18H21N3O2 — CID 113055438

IUPACN-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1)Cc1ccncc1
InChIInChI=1S/C18H21N3O2/c1-15(22)21(14-17-7-9-19-10-8-17)12-11-20-18(23)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeySOGZQQRWVAKDJC-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.79
Rot. Bonds7

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

N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide (PubChem CID 113055438) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
PubChem CID113055438
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1)Cc1ccncc1
InChIInChI=1S/C18H21N3O2/c1-15(22)21(14-17-7-9-19-10-8-17)12-11-20-18(23)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,23)
InChIKeySOGZQQRWVAKDJC-UHFFFAOYSA-N
XLogP1.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide
CID 113055446
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113055411
N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055482
ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate
CID 113055468
N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide
CID 113053992
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113055312
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
3-[acetyl(pyridin-4-ylmethyl)amino]-N-[3-(dimethylamino)propyl]propanamide
CID 113120552
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide
CID 113055347
N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113054043
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide
CID 113056581

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide (CID 113055438) is N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide is CC(=O)N(CCNC(=O)Cc1ccccc1)Cc1ccncc1.
What is the InChIKey of N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide?
The InChIKey is SOGZQQRWVAKDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-15(22)21(14-17-7-9-19-10-8-17)12-11-20-18(23)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,23).
What are the key properties of N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide?
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide has a molecular weight of 311.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 113055438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).