N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide

C17H22N2O2 — CID 43739659

IUPACN-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC(C)c2cc(C)oc2C)c1
InChIInChI=1S/C17H22N2O2/c1-10-6-7-15(19-14(5)20)9-17(10)18-12(3)16-8-11(2)21-13(16)4/h6-9,12,18H,1-5H3,(H,19,20)
InChIKeyZWQLLPGFCSPTPW-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.34
Rot. Bonds4

About N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide

N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide (PubChem CID 43739659) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
PubChem CID43739659
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC(C)c2cc(C)oc2C)c1
InChIInChI=1S/C17H22N2O2/c1-10-6-7-15(19-14(5)20)9-17(10)18-12(3)16-8-11(2)21-13(16)4/h6-9,12,18H,1-5H3,(H,19,20)
InChIKeyZWQLLPGFCSPTPW-UHFFFAOYSA-N
XLogP4.34
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline
CID 114256989
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
CID 43729713
N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide
CID 95129775
N-[4-methyl-3-[1-(3-methylphenyl)ethylamino]phenyl]acetamide
CID 43789836
N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide
CID 61000928
methyl 2-(5-acetamido-2-methylanilino)propanoate
CID 66174130
N-[2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43735957
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide
CID 43740192
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
CID 43682035
N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide
CID 43677311
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-fluoroaniline
CID 43121304
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 86856166

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide (CID 43739659) is N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NC(C)c2cc(C)oc2C)c1.
What is the InChIKey of N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide?
The InChIKey is ZWQLLPGFCSPTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10-6-7-15(19-14(5)20)9-17(10)18-12(3)16-8-11(2)21-13(16)4/h6-9,12,18H,1-5H3,(H,19,20).
What are the key properties of N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide?
N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-4-methylphenyl]acetamide is sourced from PubChem (CID 43739659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).