(E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

C18H22N4O3 — CID 58614321

IUPAC(E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2NC(CO)Cc1cnc[nH]1)NO
InChIInChI=1S/C18H22N4O3/c23-10-15(8-14-9-19-11-20-14)21-17-5-3-13-7-12(1-4-16(13)17)2-6-18(24)22-25/h1-2,4,6-7,9,11,15,17,21,23,25H,3,5,8,10H2,(H,19,20)(H,22,24)/b6-2+
InChIKeyKVPVXFNVOILUQF-QHHAFSJGSA-N
MW342.40 g/mol
LogP1.11
Rot. Bonds7

About (E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (PubChem CID 58614321) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
PubChem CID58614321
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCC2NC(CO)Cc1cnc[nH]1)NO
InChIInChI=1S/C18H22N4O3/c23-10-15(8-14-9-19-11-20-14)21-17-5-3-13-7-12(1-4-16(13)17)2-6-18(24)22-25/h1-2,4,6-7,9,11,15,17,21,23,25H,3,5,8,10H2,(H,19,20)(H,22,24)/b6-2+
InChIKeyKVPVXFNVOILUQF-QHHAFSJGSA-N
XLogP1.11
TPSA110.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.11
H-Bond Donors ≤ 55
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide (CID 58614321) is (E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCC2NC(CO)Cc1cnc[nH]1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
The InChIKey is KVPVXFNVOILUQF-QHHAFSJGSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-10-15(8-14-9-19-11-20-14)21-17-5-3-13-7-12(1-4-16(13)17)2-6-18(24)22-25/h1-2,4,6-7,9,11,15,17,21,23,25H,3,5,8,10H2,(H,19,20)(H,22,24)/b6-2+.
What are the key properties of (E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 1.11, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-[[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide is sourced from PubChem (CID 58614321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).