(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide

C24H26FNO3 — CID 42275729

IUPAC(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide
SMILESCC1(COc2ccc(CN(C(=O)/C=C/c3cccc(F)c3)C3CC3)cc2)COC1
InChIInChI=1S/C24H26FNO3/c1-24(15-28-16-24)17-29-22-10-5-19(6-11-22)14-26(21-8-9-21)23(27)12-7-18-3-2-4-20(25)13-18/h2-7,10-13,21H,8-9,14-17H2,1H3/b12-7+
InChIKeyDLGHFNRVJIYVKD-KPKJPENVSA-N
MW395.47 g/mol
LogP4.45
Rot. Bonds8

About (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide

(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide (PubChem CID 42275729) has the molecular formula C24H26FNO3 and a molecular weight of 395.47 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide
PubChem CID42275729
Molecular FormulaC24H26FNO3
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide
SMILESCC1(COc2ccc(CN(C(=O)/C=C/c3cccc(F)c3)C3CC3)cc2)COC1
InChIInChI=1S/C24H26FNO3/c1-24(15-28-16-24)17-29-22-10-5-19(6-11-22)14-26(21-8-9-21)23(27)12-7-18-3-2-4-20(25)13-18/h2-7,10-13,21H,8-9,14-17H2,1H3/b12-7+
InChIKeyDLGHFNRVJIYVKD-KPKJPENVSA-N
XLogP4.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide
CID 42406532
2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide
CID 26359192
(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43577305
(E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 31748213
(E)-3-(3-fluorophenyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 26276742
N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]methyl]benzamide
CID 34179282
N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 78774303
(E)-4-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875274
(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305733
N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide
CID 45220553
(E)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 118756844
N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-3-phenylprop-2-enamide
CID 3326822

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide (CID 42275729) is (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide is CC1(COc2ccc(CN(C(=O)/C=C/c3cccc(F)c3)C3CC3)cc2)COC1.
What is the InChIKey of (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide?
The InChIKey is DLGHFNRVJIYVKD-KPKJPENVSA-N. The full InChI is InChI=1S/C24H26FNO3/c1-24(15-28-16-24)17-29-22-10-5-19(6-11-22)14-26(21-8-9-21)23(27)12-7-18-3-2-4-20(25)13-18/h2-7,10-13,21H,8-9,14-17H2,1H3/b12-7+.
What are the key properties of (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide?
(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide has a molecular weight of 395.47 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(3-fluorophenyl)-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 42275729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).