4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide

C25H26N2O5 — CID 46470544

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)NCc1cccc(COCc2ccco2)c1
InChIInChI=1S/C25H26N2O5/c1-29-24-14-19(15-26)9-10-23(24)32-12-4-8-25(28)27-16-20-5-2-6-21(13-20)17-30-18-22-7-3-11-31-22/h2-3,5-7,9-11,13-14H,4,8,12,16-18H2,1H3,(H,27,28)
InChIKeyAKKPPSXOQJBEKB-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.35
Rot. Bonds12

About 4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide

4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide (PubChem CID 46470544) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide
PubChem CID46470544
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)NCc1cccc(COCc2ccco2)c1
InChIInChI=1S/C25H26N2O5/c1-29-24-14-19(15-26)9-10-23(24)32-12-4-8-25(28)27-16-20-5-2-6-21(13-20)17-30-18-22-7-3-11-31-22/h2-3,5-7,9-11,13-14H,4,8,12,16-18H2,1H3,(H,27,28)
InChIKeyAKKPPSXOQJBEKB-UHFFFAOYSA-N
XLogP4.35
TPSA93.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]propanamide
CID 55660949
N-[3-[[4-(4-cyano-2-methoxyphenoxy)butanoylamino]methyl]phenyl]-3-fluorobenzamide
CID 55894063
4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide
CID 48585204
2-(2,6-dimethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 46470415
N-[(3-cyanophenyl)methyl]-3-(furan-2-yl)propanamide
CID 47161726
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 55661006
2-(4-ethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 55660922
4-(4-cyano-2-methoxyphenoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 55795593
N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide
CID 39971238
N-[3-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46470414
4-(4-cyano-2-methoxyphenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]butanamide
CID 55713088
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55661087

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide (CID 46470544) is 4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide is COc1cc(C#N)ccc1OCCCC(=O)NCc1cccc(COCc2ccco2)c1.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide?
The InChIKey is AKKPPSXOQJBEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-29-24-14-19(15-26)9-10-23(24)32-12-4-8-25(28)27-16-20-5-2-6-21(13-20)17-30-18-22-7-3-11-31-22/h2-3,5-7,9-11,13-14H,4,8,12,16-18H2,1H3,(H,27,28).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide has a molecular weight of 434.49 g/mol, XLogP of 4.35, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 46470544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).