(E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide

C18H16N2O2 — CID 170876586

IUPAC(E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1c[nH]c2c(OCc3ccccc3)cccc12
InChIInChI=1S/C18H16N2O2/c19-17(21)10-9-14-11-20-18-15(14)7-4-8-16(18)22-12-13-5-2-1-3-6-13/h1-11,20H,12H2,(H2,19,21)/b10-9+
InChIKeyNQDGYSXXPHURGQ-MDZDMXLPSA-N
MW292.34 g/mol
LogP3.25
Rot. Bonds5

About (E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide

(E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide (PubChem CID 170876586) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
PubChem CID170876586
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
SMILESNC(=O)/C=C/c1c[nH]c2c(OCc3ccccc3)cccc12
InChIInChI=1S/C18H16N2O2/c19-17(21)10-9-14-11-20-18-15(14)7-4-8-16(18)22-12-13-5-2-1-3-6-13/h1-11,20H,12H2,(H2,19,21)/b10-9+
InChIKeyNQDGYSXXPHURGQ-MDZDMXLPSA-N
XLogP3.25
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-2-nitroprop-1-enyl]-7-phenylmethoxy-1H-indole
CID 11324286
3-(4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enamide
CID 123411198
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
CID 11210487
2-(phenylmethoxycarbonylamino)-3-(7-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 22309430
(2R)-2-(phenylmethoxycarbonylamino)-3-(7-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 94021274
N-[2-(7-phenylmethoxy-1H-indol-3-yl)ethyl]acetamide
CID 563604
3-(1H-indol-3-yl)prop-2-enamide;propanoic acid
CID 174449864
(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 171349643
(E)-3-(7-ethyl-1H-indol-3-yl)prop-2-enoic acid
CID 76847871
(Z)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-enamide
CID 170876730
3-(2-nitropropyl)-7-phenylmethoxy-1H-indole
CID 11461053
(Z)-3-(7-fluoro-1H-indol-3-yl)prop-2-enoic acid
CID 83971122

Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide (CID 170876586) is (E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide is NC(=O)/C=C/c1c[nH]c2c(OCc3ccccc3)cccc12.
What is the InChIKey of (E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide?
The InChIKey is NQDGYSXXPHURGQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H16N2O2/c19-17(21)10-9-14-11-20-18-15(14)7-4-8-16(18)22-12-13-5-2-1-3-6-13/h1-11,20H,12H2,(H2,19,21)/b10-9+.
What are the key properties of (E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide?
(E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-phenylmethoxy-1H-indol-3-yl)prop-2-enamide is sourced from PubChem (CID 170876586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).