(E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide

C24H20N2O2 — CID 71769665

IUPAC(E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
SMILESNC(=O)/C(=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C24H20N2O2/c25-24(27)22(18-9-5-2-6-10-18)13-19-15-26-23-12-11-20(14-21(19)23)28-16-17-7-3-1-4-8-17/h1-15,26H,16H2,(H2,25,27)/b22-13+
InChIKeyMHPAOTWUDNCIRV-LPYMAVHISA-N
MW368.44 g/mol
LogP4.77
Rot. Bonds6

About (E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide

(E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide (PubChem CID 71769665) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
PubChem CID71769665
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name(E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide
SMILESNC(=O)/C(=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1
InChIInChI=1S/C24H20N2O2/c25-24(27)22(18-9-5-2-6-10-18)13-19-15-26-23-12-11-20(14-21(19)23)28-16-17-7-3-1-4-8-17/h1-15,26H,16H2,(H2,25,27)/b22-13+
InChIKeyMHPAOTWUDNCIRV-LPYMAVHISA-N
XLogP4.77
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.77
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

[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiourea
CID 136836360
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069607
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
3-iodo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069759
3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069666
(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 50901902
(3E)-3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 11164464
3-[(5-phenylmethoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 69455728
N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 136765213
(E)-3-(1H-indol-3-yl)-1-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 171349643
ethyl (E)-4-(5-phenylmethoxy-1H-indol-3-yl)but-2-enoate
CID 19372353

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide?
The IUPAC name of (E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide (CID 71769665) is (E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide is NC(=O)/C(=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1.
What is the InChIKey of (E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide?
The InChIKey is MHPAOTWUDNCIRV-LPYMAVHISA-N. The full InChI is InChI=1S/C24H20N2O2/c25-24(27)22(18-9-5-2-6-10-18)13-19-15-26-23-12-11-20(14-21(19)23)28-16-17-7-3-1-4-8-17/h1-15,26H,16H2,(H2,25,27)/b22-13+.
What are the key properties of (E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide?
(E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide has a molecular weight of 368.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-3-(5-phenylmethoxy-1H-indol-3-yl)prop-2-enamide is sourced from PubChem (CID 71769665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).