(E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide

C17H14N2O3 — CID 144849610

IUPAC(E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(Oc3ccccc3)c[nH]c2c1)NO
InChIInChI=1S/C17H14N2O3/c20-17(19-21)9-7-12-6-8-14-15(10-12)18-11-16(14)22-13-4-2-1-3-5-13/h1-11,18,21H,(H,19,20)/b9-7+
InChIKeyBGZKQQGDFWQHDZ-VQHVLOKHSA-N
MW294.31 g/mol
LogP3.48
Rot. Bonds4

About (E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide

(E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide (PubChem CID 144849610) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide
PubChem CID144849610
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(Oc3ccccc3)c[nH]c2c1)NO
InChIInChI=1S/C17H14N2O3/c20-17(19-21)9-7-12-6-8-14-15(10-12)18-11-16(14)22-13-4-2-1-3-5-13/h1-11,18,21H,(H,19,20)/b9-7+
InChIKeyBGZKQQGDFWQHDZ-VQHVLOKHSA-N
XLogP3.48
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
(E)-3-(4-fluorophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 844863
3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 1001544
(E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 1001546
(E)-N-benzyl-3-(4-bromo-3-phenoxyphenyl)prop-2-enamide
CID 175809323
(2S)-2-amino-N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 59055370
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961
(E)-N-(5-chloro-2-phenoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84551959
3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid
CID 172757581
methyl 3-(3-formyl-1H-indol-6-yl)prop-2-enoate
CID 86162706

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide (CID 144849610) is (E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide is O=C(/C=C/c1ccc2c(Oc3ccccc3)c[nH]c2c1)NO.
What is the InChIKey of (E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide?
The InChIKey is BGZKQQGDFWQHDZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-17(19-21)9-7-12-6-8-14-15(10-12)18-11-16(14)22-13-4-2-1-3-5-13/h1-11,18,21H,(H,19,20)/b9-7+.
What are the key properties of (E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide?
(E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide has a molecular weight of 294.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-(3-phenoxy-1H-indol-6-yl)prop-2-enamide is sourced from PubChem (CID 144849610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).