N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide

C18H22N2O4 — CID 78887130

IUPACN-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)c2ccc(COC)o2)cc1
InChIInChI=1S/C18H22N2O4/c1-3-4-17(21)20-14-7-5-13(6-8-14)11-19-18(22)16-10-9-15(24-16)12-23-2/h5-10H,3-4,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZXTYPVSRSMYJDY-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.09
Rot. Bonds8

About N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide

N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 78887130) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID78887130
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)c2ccc(COC)o2)cc1
InChIInChI=1S/C18H22N2O4/c1-3-4-17(21)20-14-7-5-13(6-8-14)11-19-18(22)16-10-9-15(24-16)12-23-2/h5-10H,3-4,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZXTYPVSRSMYJDY-UHFFFAOYSA-N
XLogP3.09
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[[[5-(methoxymethyl)furan-2-carbonyl]amino]methyl]phenyl]carbamate
CID 78902905
5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55781738
5-(methoxymethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]furan-2-carboxamide
CID 78873760
5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide
CID 78872860
5-(methoxymethyl)-N-[2-oxo-2-(propylamino)ethyl]furan-2-carboxamide
CID 78827647
N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78878242
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
5-(methoxymethyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 86918391
N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55843556
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
5-(methoxymethyl)-N-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 78851950
N-[2-(ethylamino)ethyl]-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119505332

Frequently Asked Questions

What is the IUPAC name of N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide (CID 78887130) is N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide is CCCC(=O)Nc1ccc(CNC(=O)c2ccc(COC)o2)cc1.
What is the InChIKey of N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is ZXTYPVSRSMYJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-4-17(21)20-14-7-5-13(6-8-14)11-19-18(22)16-10-9-15(24-16)12-23-2/h5-10H,3-4,11-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 78887130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).