5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide

C24H22N2O4 — CID 48585316

IUPAC5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide
SMILESN#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(COCC3CC3)c2)o1
InChIInChI=1S/C24H22N2O4/c25-13-19-5-1-2-7-22(19)29-16-21-10-11-23(30-21)24(27)26-20-6-3-4-18(12-20)15-28-14-17-8-9-17/h1-7,10-12,17H,8-9,14-16H2,(H,26,27)
InChIKeyXPDLRXHYEHNRMI-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.91
Rot. Bonds9

About 5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide

5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide (PubChem CID 48585316) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide
PubChem CID48585316
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide
SMILESN#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(COCC3CC3)c2)o1
InChIInChI=1S/C24H22N2O4/c25-13-19-5-1-2-7-22(19)29-16-21-10-11-23(30-21)24(27)26-20-6-3-4-18(12-20)15-28-14-17-8-9-17/h1-7,10-12,17H,8-9,14-16H2,(H,26,27)
InChIKeyXPDLRXHYEHNRMI-UHFFFAOYSA-N
XLogP4.91
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 47051140
N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55843556
5-[(2-cyanophenoxy)methyl]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]furan-2-carboxamide
CID 55871417
5-[(2-cyanophenoxy)methyl]-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 56814629
5-[(2-cyanophenoxy)methyl]-N-(6-methoxy-3-pyridinyl)furan-2-carboxamide
CID 47051131
N-(3-cyanophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9245570
N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55884416
5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide
CID 55823378
N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 48584262
N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55872708
5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
CID 55844677
N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55825170

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide (CID 48585316) is 5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide is N#Cc1ccccc1OCc1ccc(C(=O)Nc2cccc(COCC3CC3)c2)o1.
What is the InChIKey of 5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide?
The InChIKey is XPDLRXHYEHNRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c25-13-19-5-1-2-7-22(19)29-16-21-10-11-23(30-21)24(27)26-20-6-3-4-18(12-20)15-28-14-17-8-9-17/h1-7,10-12,17H,8-9,14-16H2,(H,26,27).
What are the key properties of 5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide?
5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 48585316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).