N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide

C18H22N2O3 — CID 113053917

IUPACN-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(C)cc1)Cc1ccco1
InChIInChI=1S/C18H22N2O3/c1-14-5-7-16(8-6-14)12-18(22)19-9-10-20(15(2)21)13-17-4-3-11-23-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,19,22)
InChIKeyKORJANYADJURHP-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.30
Rot. Bonds7

About N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide

N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 113053917) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide
PubChem CID113053917
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(C)cc1)Cc1ccco1
InChIInChI=1S/C18H22N2O3/c1-14-5-7-16(8-6-14)12-18(22)19-9-10-20(15(2)21)13-17-4-3-11-23-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,19,22)
InChIKeyKORJANYADJURHP-UHFFFAOYSA-N
XLogP2.30
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113053913
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
N-[3-(furan-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 53283761
N-[2-[acetyl(propyl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113051892
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113053908
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide
CID 113053874
3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide
CID 113118081
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066497
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113054765
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
CID 113057921

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide (CID 113053917) is N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccc(C)cc1)Cc1ccco1.
What is the InChIKey of N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is KORJANYADJURHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-5-7-16(8-6-14)12-18(22)19-9-10-20(15(2)21)13-17-4-3-11-23-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide?
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113053917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).