N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide

C18H22N2O4 — CID 32603356

IUPACN-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C18H22N2O4/c1-23-13-15-7-3-2-6-14(15)12-20-17(21)9-4-10-19-18(22)16-8-5-11-24-16/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyNVNRPAQQVFMYPB-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.25
Rot. Bonds9

About N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide

N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 32603356) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide
PubChem CID32603356
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C18H22N2O4/c1-23-13-15-7-3-2-6-14(15)12-20-17(21)9-4-10-19-18(22)16-8-5-11-24-16/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,19,22)(H,20,21)
InChIKeyNVNRPAQQVFMYPB-UHFFFAOYSA-N
XLogP2.25
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-oxo-4-[(3-phenylmethoxyphenyl)methylamino]butyl]furan-2-carboxamide
CID 55845508
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]furan-2-carboxamide
CID 17464973
N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide
CID 35511874
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
(2S)-3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxypropanoic acid
CID 107833216
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 31727361
N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 46487585
N-[3-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 42385642
3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172562
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide (CID 32603356) is N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide is COCc1ccccc1CNC(=O)CCCNC(=O)c1ccco1.
What is the InChIKey of N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is NVNRPAQQVFMYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-23-13-15-7-3-2-6-14(15)12-20-17(21)9-4-10-19-18(22)16-8-5-11-24-16/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 32603356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).