N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide

C19H19N5O3 — CID 6881703

IUPACN-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide
SMILESCOc1ccc(/C=N/n2cncn2)cc1COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19N5O3/c1-14(25)23-17-4-6-18(7-5-17)27-11-16-9-15(3-8-19(16)26-2)10-21-24-13-20-12-22-24/h3-10,12-13H,11H2,1-2H3,(H,23,25)/b21-10+
InChIKeyVYLGMWCRBKYULH-UFFVCSGVSA-N
MW365.39 g/mol
LogP2.71
Rot. Bonds7

About N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide

N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide (PubChem CID 6881703) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide
PubChem CID6881703
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide
SMILESCOc1ccc(/C=N/n2cncn2)cc1COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19N5O3/c1-14(25)23-17-4-6-18(7-5-17)27-11-16-9-15(3-8-19(16)26-2)10-21-24-13-20-12-22-24/h3-10,12-13H,11H2,1-2H3,(H,23,25)/b21-10+
InChIKeyVYLGMWCRBKYULH-UFFVCSGVSA-N
XLogP2.71
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[5-(hydroxyiminomethyl)-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 805851
N-[4-[[2-methoxy-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]phenyl]methoxy]phenyl]acetamide
CID 6880296
N-[4-[[2-methoxy-5-(3-oxo-3-phenylprop-1-enyl)phenyl]methoxy]phenyl]acetamide
CID 2887990
4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide
CID 28776247
N-[4-[[5-[(1-butan-2-yl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 3715762
N-[4-[[5-[(E)-[1-[(2S)-butan-2-yl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 40818029
N-[4-[[2-methoxy-5-[[1-(3-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenyl]methoxy]phenyl]acetamide
CID 3753385
N-[4-[[2-methoxy-5-[[2,4,6-trioxo-1-(2,4,6-trimethylphenyl)-1,3-diazinan-5-ylidene]methyl]phenyl]methoxy]phenyl]acetamide
CID 5173291
N-[[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 4051654
N-[4-[[5-[(Z)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 1421297
N-[4-[[5-[[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 3556991
N-[4-[[5-[[1-(4-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenyl]methoxy]phenyl]acetamide
CID 3851651

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide (CID 6881703) is N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide is COc1ccc(/C=N/n2cncn2)cc1COc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide?
The InChIKey is VYLGMWCRBKYULH-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-14(25)23-17-4-6-18(7-5-17)27-11-16-9-15(3-8-19(16)26-2)10-21-24-13-20-12-22-24/h3-10,12-13H,11H2,1-2H3,(H,23,25)/b21-10+.
What are the key properties of N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide?
N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide has a molecular weight of 365.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]phenyl]acetamide is sourced from PubChem (CID 6881703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).