(E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide

C26H30ClNO3 — CID 42406532

IUPAC(E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide
SMILESCC1(COc2cccc(CN(C(=O)/C=C/c3ccccc3Cl)C3CCCC3)c2)COC1
InChIInChI=1S/C26H30ClNO3/c1-26(17-30-18-26)19-31-23-11-6-7-20(15-23)16-28(22-9-3-4-10-22)25(29)14-13-21-8-2-5-12-24(21)27/h2,5-8,11-15,22H,3-4,9-10,16-19H2,1H3/b14-13+
InChIKeySHPFXODVZRQXOU-BUHFOSPRSA-N
MW439.98 g/mol
LogP5.74
Rot. Bonds8

About (E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide (PubChem CID 42406532) has the molecular formula C26H30ClNO3 and a molecular weight of 439.98 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide
PubChem CID42406532
Molecular FormulaC26H30ClNO3
Molecular Weight439.98 g/mol
Exact Mass439.19
IUPAC Name(E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide
SMILESCC1(COc2cccc(CN(C(=O)/C=C/c3ccccc3Cl)C3CCCC3)c2)COC1
InChIInChI=1S/C26H30ClNO3/c1-26(17-30-18-26)19-31-23-11-6-7-20(15-23)16-28(22-9-3-4-10-22)25(29)14-13-21-8-2-5-12-24(21)27/h2,5-8,11-15,22H,3-4,9-10,16-19H2,1H3/b14-13+
InChIKeySHPFXODVZRQXOU-BUHFOSPRSA-N
XLogP5.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.98
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]oxolane-2-carboxamide
CID 45220553
(E)-3-(2-chlorophenyl)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 26400236
(E)-3-(2-chlorophenyl)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 26400235
(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide
CID 884483
(E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[4-(1-methoxypropan-2-yloxy)phenyl]methyl]prop-2-enamide
CID 45236472
(E)-3-(2-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 6587708
3-(2-chlorophenyl)-N-cyclopropyl-N-[[4-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]methyl]prop-2-enamide
CID 74799821
2-cyclopentyl-N-cyclopropyl-N-[[4-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]acetamide
CID 26359192
N-benzyl-3-(2-chlorophenyl)-N-(cyclobutylmethyl)prop-2-enamide
CID 3348745
N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide
CID 42378699
(E)-N-cyclobutyl-3-(2,3-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684628
(E)-3-(2-chlorophenyl)-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 45209048

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide (CID 42406532) is (E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide is CC1(COc2cccc(CN(C(=O)/C=C/c3ccccc3Cl)C3CCCC3)c2)COC1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide?
The InChIKey is SHPFXODVZRQXOU-BUHFOSPRSA-N. The full InChI is InChI=1S/C26H30ClNO3/c1-26(17-30-18-26)19-31-23-11-6-7-20(15-23)16-28(22-9-3-4-10-22)25(29)14-13-21-8-2-5-12-24(21)27/h2,5-8,11-15,22H,3-4,9-10,16-19H2,1H3/b14-13+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide has a molecular weight of 439.98 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-cyclopentyl-N-[[3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 42406532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).