(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide

C23H26FNO3 — CID 1322060

IUPAC(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCOc1ccc(C2(CNC(=O)/C=C/c3ccc(F)cc3)CCCC2)cc1OC
InChIInChI=1S/C23H26FNO3/c1-27-20-11-8-18(15-21(20)28-2)23(13-3-4-14-23)16-25-22(26)12-7-17-5-9-19(24)10-6-17/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,25,26)/b12-7+
InChIKeyODYAVNHBNWFODC-KPKJPENVSA-N
MW383.46 g/mol
LogP4.48
Rot. Bonds7

About (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide

(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 1322060) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID1322060
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCOc1ccc(C2(CNC(=O)/C=C/c3ccc(F)cc3)CCCC2)cc1OC
InChIInChI=1S/C23H26FNO3/c1-27-20-11-8-18(15-21(20)28-2)23(13-3-4-14-23)16-25-22(26)12-7-17-5-9-19(24)10-6-17/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,25,26)/b12-7+
InChIKeyODYAVNHBNWFODC-KPKJPENVSA-N
XLogP4.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-2-methoxyphenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]prop-2-enamide
CID 74526798
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045
(E)-3-(4-methoxyphenyl)-N-[(1-phenylcyclopentyl)methyl]prop-2-enamide
CID 5399176
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590
1-[[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]methyl]cyclobutane-1-carboxylic acid
CID 91338465
(E)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 98932984
2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
CID 119325911
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]prop-2-enamide
CID 30664702
4-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-4-oxobutanoate
CID 3678737
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
(E)-3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]prop-2-enamide
CID 90581141
(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]but-2-enamide
CID 110477965

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide (CID 1322060) is (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide is COc1ccc(C2(CNC(=O)/C=C/c3ccc(F)cc3)CCCC2)cc1OC.
What is the InChIKey of (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is ODYAVNHBNWFODC-KPKJPENVSA-N. The full InChI is InChI=1S/C23H26FNO3/c1-27-20-11-8-18(15-21(20)28-2)23(13-3-4-14-23)16-25-22(26)12-7-17-5-9-19(24)10-6-17/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,25,26)/b12-7+.
What are the key properties of (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 383.46 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 1322060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).