(E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide

C25H28N4O3 — CID 53376762

IUPAC(E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide
SMILESCCCC(/C=C/c1ccccc1)n1cc(/C=C/C(=O)NOCc2ccc(OC)cc2)nn1
InChIInChI=1S/C25H28N4O3/c1-3-7-23(14-10-20-8-5-4-6-9-20)29-18-22(26-28-29)13-17-25(30)27-32-19-21-11-15-24(31-2)16-12-21/h4-6,8-18,23H,3,7,19H2,1-2H3,(H,27,30)/b14-10+,17-13+
InChIKeyWUSJNNAUYCPGNB-JTOAUJHISA-N
MW432.52 g/mol
LogP4.60
Rot. Bonds11

About (E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide

(E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide (PubChem CID 53376762) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is (E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide
PubChem CID53376762
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name(E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide
SMILESCCCC(/C=C/c1ccccc1)n1cc(/C=C/C(=O)NOCc2ccc(OC)cc2)nn1
InChIInChI=1S/C25H28N4O3/c1-3-7-23(14-10-20-8-5-4-6-9-20)29-18-22(26-28-29)13-17-25(30)27-32-19-21-11-15-24(31-2)16-12-21/h4-6,8-18,23H,3,7,19H2,1-2H3,(H,27,30)/b14-10+,17-13+
InChIKeyWUSJNNAUYCPGNB-JTOAUJHISA-N
XLogP4.60
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[1-(1,3-benzothiazol-2-ylmethyl)triazol-4-yl]-N-[(4-methoxyphenyl)methoxy]prop-2-enamide
CID 57387782
(E)-3-(4-ethoxyphenyl)-N-phenylmethoxyprop-2-enamide
CID 9227515
(E)-3-(1-benzyltriazol-4-yl)-N-pentan-2-ylprop-2-enamide
CID 17417147
(E)-3-[1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]-N-[(4-methoxyphenyl)methoxy]prop-2-enamide
CID 53348504
(4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate
CID 4271861
methyl 2-(2-phenylethenyl)pentanoate
CID 174248915
2,5-diethyl-2,5-bis[(4-methoxyphenyl)methoxy]-3,4-bis[(E)-2-phenylethenyl]hexanedioic acid
CID 102444036
(E)-2-ethyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-5-phenylpent-4-enoic acid
CID 102444037
(E)-3-(3-fluorophenyl)-N-phenylmethoxyprop-2-enamide
CID 32577096
3-(5-methylthiophen-2-yl)-N-phenylmethoxyprop-2-enamide
CID 74626738
(E)-1-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-1-en-3-ol
CID 11324417
propan-2-yl 3-[[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 24516782

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide (CID 53376762) is (E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide is CCCC(/C=C/c1ccccc1)n1cc(/C=C/C(=O)NOCc2ccc(OC)cc2)nn1.
What is the InChIKey of (E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide?
The InChIKey is WUSJNNAUYCPGNB-JTOAUJHISA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-7-23(14-10-20-8-5-4-6-9-20)29-18-22(26-28-29)13-17-25(30)27-32-19-21-11-15-24(31-2)16-12-21/h4-6,8-18,23H,3,7,19H2,1-2H3,(H,27,30)/b14-10+,17-13+.
What are the key properties of (E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide?
(E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide has a molecular weight of 432.52 g/mol, XLogP of 4.60, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methoxyphenyl)methoxy]-3-[1-[(E)-1-phenylhex-1-en-3-yl]triazol-4-yl]prop-2-enamide is sourced from PubChem (CID 53376762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).