N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide

C16H19NO3 — CID 110781155

IUPACN-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
SMILESCC(C)COc1ccc(CNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H19NO3/c1-12(2)11-20-14-7-5-13(6-8-14)10-17-16(18)15-4-3-9-19-15/h3-9,12H,10-11H2,1-2H3,(H,17,18)
InChIKeyNKMQAEHFMDDNOA-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.24
Rot. Bonds6

About N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide

N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide (PubChem CID 110781155) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
PubChem CID110781155
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide
SMILESCC(C)COc1ccc(CNC(=O)c2ccco2)cc1
InChIInChI=1S/C16H19NO3/c1-12(2)11-20-14-7-5-13(6-8-14)10-17-16(18)15-4-3-9-19-15/h3-9,12H,10-11H2,1-2H3,(H,17,18)
InChIKeyNKMQAEHFMDDNOA-UHFFFAOYSA-N
XLogP3.24
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
N-[4-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55589199
4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide
CID 87036773
N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 47043267
N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide
CID 2918144
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide
CID 94197370
N-[(2R)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 26002055
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879838
1,1,3-tris[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 175674842
1-tert-butyl-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 110774962
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 108539017

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide (CID 110781155) is N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide is CC(C)COc1ccc(CNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide?
The InChIKey is NKMQAEHFMDDNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-12(2)11-20-14-7-5-13(6-8-14)10-17-16(18)15-4-3-9-19-15/h3-9,12H,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide?
N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropoxy)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 110781155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).