N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide

C13H13NO4 — CID 168652571

IUPACN-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide
SMILESCOc1ccc(-c2ccc(CO)o2)c(NC=O)c1
InChIInChI=1S/C13H13NO4/c1-17-9-2-4-11(12(6-9)14-8-16)13-5-3-10(7-15)18-13/h2-6,8,15H,7H2,1H3,(H,14,16)
InChIKeyMMKQNFCSNCEXHI-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.02
Rot. Bonds5

About N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide

N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide (PubChem CID 168652571) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide.

Molecular Properties

Compound NameN-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide
PubChem CID168652571
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC NameN-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide
SMILESCOc1ccc(-c2ccc(CO)o2)c(NC=O)c1
InChIInChI=1S/C13H13NO4/c1-17-9-2-4-11(12(6-9)14-8-16)13-5-3-10(7-15)18-13/h2-6,8,15H,7H2,1H3,(H,14,16)
InChIKeyMMKQNFCSNCEXHI-UHFFFAOYSA-N
XLogP2.02
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]formamide
CID 168653185
N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169372273
(1Z)-2-amino-N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyanilino]-2-iminoethanimidoyl cyanide
CID 172978896
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-3,5-dimethoxybenzamide
CID 28675012
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 28676973
(2R)-2-amino-N-(2-formamido-5-methoxyphenyl)propanamide
CID 143527427
N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-methoxybenzamide
CID 28672057
N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-2,4-dimethoxybenzamide
CID 17098464
(E)-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677867
2-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyanilino]methylidene]propanedinitrile
CID 168543539
(E)-N-[4-chloro-3-[5-(hydroxymethyl)furan-2-yl]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 28677866
5-[4-methoxy-2-(pentanoylamino)phenyl]furan-2-carboxylic acid
CID 91687935

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide?
The IUPAC name of N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide (CID 168652571) is N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide.
What is the SMILES notation for N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide?
The canonical SMILES for N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide is COc1ccc(-c2ccc(CO)o2)c(NC=O)c1.
What is the InChIKey of N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide?
The InChIKey is MMKQNFCSNCEXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-9-2-4-11(12(6-9)14-8-16)13-5-3-10(7-15)18-13/h2-6,8,15H,7H2,1H3,(H,14,16).
What are the key properties of N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide?
N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide has a molecular weight of 247.25 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]formamide is sourced from PubChem (CID 168652571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).