(E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C22H23N3O5 — CID 155703947

IUPAC(E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESCOc1ccc(N2C(=O)CN(C3CCc4cc(/C=C/C(=O)NO)ccc43)C2O)cc1
InChIInChI=1S/C22H23N3O5/c1-30-17-7-5-16(6-8-17)25-21(27)13-24(22(25)28)19-10-4-15-12-14(2-9-18(15)19)3-11-20(26)23-29/h2-3,5-9,11-12,19,22,28-29H,4,10,13H2,1H3,(H,23,26)/b11-3+
InChIKeyFTPAMRGJQWYNPW-QDEBKDIKSA-N
MW409.44 g/mol
LogP1.83
Rot. Bonds5

About (E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 155703947) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
PubChem CID155703947
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name(E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESCOc1ccc(N2C(=O)CN(C3CCc4cc(/C=C/C(=O)NO)ccc43)C2O)cc1
InChIInChI=1S/C22H23N3O5/c1-30-17-7-5-16(6-8-17)25-21(27)13-24(22(25)28)19-10-4-15-12-14(2-9-18(15)19)3-11-20(26)23-29/h2-3,5-9,11-12,19,22,28-29H,4,10,13H2,1H3,(H,23,26)/b11-3+
InChIKeyFTPAMRGJQWYNPW-QDEBKDIKSA-N
XLogP1.83
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-hydroxy-3-[(1S)-1-[3-hydroxypropyl-[2-(4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 90969801
(E)-N-hydroxy-3-[1-[2-hydroxyethyl-[2-(5-methoxy-1H-indol-2-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614122
3-[(1S)-1-[2-(2,5-dimethoxyphenyl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 173194731
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
1-[5-[(E)-4-hydroxy-3-oxobut-1-enyl]-2,3-dihydro-1H-inden-1-yl]-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 165068019
N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 76941549
(2E,4E)-N-hydroxy-5-[4-(4-methoxyphenyl)phenyl]penta-2,4-dienamide
CID 42631047
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(E)-N-hydroxy-3-[1-[3-hydroxypropyl-[2-(3-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58614521
(E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613911
4-methoxy-N-[5-[(E)-3-oxopent-1-enyl]-2,3-dihydro-1H-inden-1-yl]benzenesulfonamide;(E)-3-[1-[(4-methoxyphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoic acid
CID 165045515
2-[6-[2-(4-methoxyphenyl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 69177503

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 155703947) is (E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is COc1ccc(N2C(=O)CN(C3CCc4cc(/C=C/C(=O)NO)ccc43)C2O)cc1.
What is the InChIKey of (E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The InChIKey is FTPAMRGJQWYNPW-QDEBKDIKSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-30-17-7-5-16(6-8-17)25-21(27)13-24(22(25)28)19-10-4-15-12-14(2-9-18(15)19)3-11-20(26)23-29/h2-3,5-9,11-12,19,22,28-29H,4,10,13H2,1H3,(H,23,26)/b11-3+.
What are the key properties of (E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 409.44 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-[2-hydroxy-3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 155703947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).