N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide

C18H24N2O2 — CID 31379581

IUPACN-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1ccco1
InChIInChI=1S/C18H24N2O2/c1-18(2,3)14-7-9-15(10-8-14)19-17(21)13-20(4)12-16-6-5-11-22-16/h5-11H,12-13H2,1-4H3,(H,19,21)
InChIKeyROLMJHTUIIXAJW-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.65
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide

N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide (PubChem CID 31379581) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
PubChem CID31379581
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1ccco1
InChIInChI=1S/C18H24N2O2/c1-18(2,3)14-7-9-15(10-8-14)19-17(21)13-20(4)12-16-6-5-11-22-16/h5-11H,12-13H2,1-4H3,(H,19,21)
InChIKeyROLMJHTUIIXAJW-UHFFFAOYSA-N
XLogP3.65
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9331913
4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9333882
2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9333158
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333443
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161103
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333516
2-[furan-2-ylmethyl(methyl)amino]-N-(2-iodophenyl)acetamide
CID 9334115
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9103147
2-[furan-2-ylmethyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134048
N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
2-[(4-tert-butylphenyl)methyl-(furan-2-ylmethyl)amino]acetic acid
CID 39424492

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide (CID 31379581) is N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide is CN(CC(=O)Nc1ccc(C(C)(C)C)cc1)Cc1ccco1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The InChIKey is ROLMJHTUIIXAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-18(2,3)14-7-9-15(10-8-14)19-17(21)13-20(4)12-16-6-5-11-22-16/h5-11H,12-13H2,1-4H3,(H,19,21).
What are the key properties of N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide?
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide has a molecular weight of 300.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 31379581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).