(E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide

C19H20N2O5 — CID 171368994

IUPAC(E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide
SMILESCOc1cc(CNC(=O)/C=C/c2ccccc2)ccc1OCC(=O)NO
InChIInChI=1S/C19H20N2O5/c1-25-17-11-15(7-9-16(17)26-13-19(23)21-24)12-20-18(22)10-8-14-5-3-2-4-6-14/h2-11,24H,12-13H2,1H3,(H,20,22)(H,21,23)/b10-8+
InChIKeyLAVDERCZVYRCJY-CSKARUKUSA-N
MW356.38 g/mol
LogP1.91
Rot. Bonds8

About (E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide

(E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide (PubChem CID 171368994) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is (E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide
PubChem CID171368994
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide
SMILESCOc1cc(CNC(=O)/C=C/c2ccccc2)ccc1OCC(=O)NO
InChIInChI=1S/C19H20N2O5/c1-25-17-11-15(7-9-16(17)26-13-19(23)21-24)12-20-18(22)10-8-14-5-3-2-4-6-14/h2-11,24H,12-13H2,1H3,(H,20,22)(H,21,23)/b10-8+
InChIKeyLAVDERCZVYRCJY-CSKARUKUSA-N
XLogP1.91
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide
CID 27838770
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
(E)-N-benzyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188981
(E)-N-[[3-methoxy-4-[(1-phenyltriazol-4-yl)methoxy]phenyl]methyl]-3-phenylprop-2-enamide
CID 164889048
(E)-N-benzyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 8713243
(E)-3-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]prop-2-enamide
CID 54776580
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 9241150
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9241050
(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 8713217
[4-[(carbamoylamino)methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
CID 174233945
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17070188
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 9456421

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide (CID 171368994) is (E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide is COc1cc(CNC(=O)/C=C/c2ccccc2)ccc1OCC(=O)NO.
What is the InChIKey of (E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide?
The InChIKey is LAVDERCZVYRCJY-CSKARUKUSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-25-17-11-15(7-9-16(17)26-13-19(23)21-24)12-20-18(22)10-8-14-5-3-2-4-6-14/h2-11,24H,12-13H2,1H3,(H,20,22)(H,21,23)/b10-8+.
What are the key properties of (E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide?
(E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide has a molecular weight of 356.38 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-[2-(hydroxyamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 171368994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).