(E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide

C20H21NO2 — CID 44531788

IUPAC(E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide
SMILESC/C(=C\C(=O)NC1CC1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H21NO2/c1-15(13-20(22)21-17-11-12-17)18-9-5-6-10-19(18)23-14-16-7-3-2-4-8-16/h2-10,13,17H,11-12,14H2,1H3,(H,21,22)/b15-13+
InChIKeyMZRWIVCRJFSTIV-FYWRMAATSA-N
MW307.39 g/mol
LogP3.95
Rot. Bonds6

About (E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide

(E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide (PubChem CID 44531788) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide
PubChem CID44531788
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide
SMILESC/C(=C\C(=O)NC1CC1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H21NO2/c1-15(13-20(22)21-17-11-12-17)18-9-5-6-10-19(18)23-14-16-7-3-2-4-8-16/h2-10,13,17H,11-12,14H2,1H3,(H,21,22)/b15-13+
InChIKeyMZRWIVCRJFSTIV-FYWRMAATSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide (CID 44531788) is (E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide is C/C(=C\C(=O)NC1CC1)c1ccccc1OCc1ccccc1.
What is the InChIKey of (E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide?
The InChIKey is MZRWIVCRJFSTIV-FYWRMAATSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15(13-20(22)21-17-11-12-17)18-9-5-6-10-19(18)23-14-16-7-3-2-4-8-16/h2-10,13,17H,11-12,14H2,1H3,(H,21,22)/b15-13+.
What are the key properties of (E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide?
(E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide has a molecular weight of 307.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(2-phenylmethoxyphenyl)but-2-enamide is sourced from PubChem (CID 44531788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).