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

C21H25NO4 — CID 1362004

IUPAC(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide
SMILESCOc1ccc(C2(CNC(=O)/C=C/c3ccco3)CCCC2)cc1OC
InChIInChI=1S/C21H25NO4/c1-24-18-9-7-16(14-19(18)25-2)21(11-3-4-12-21)15-22-20(23)10-8-17-6-5-13-26-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,22,23)/b10-8+
InChIKeyMBUHXLRLEXBOPE-CSKARUKUSA-N
MW355.43 g/mol
LogP3.94
Rot. Bonds7

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

(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 1362004) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID1362004
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide
SMILESCOc1ccc(C2(CNC(=O)/C=C/c3ccco3)CCCC2)cc1OC
InChIInChI=1S/C21H25NO4/c1-24-18-9-7-16(14-19(18)25-2)21(11-3-4-12-21)15-22-20(23)10-8-17-6-5-13-26-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,22,23)/b10-8+
InChIKeyMBUHXLRLEXBOPE-CSKARUKUSA-N
XLogP3.94
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Rolipram
CID 5092
(S)-Rolipram
CID 158758
(-)-Rolipram
CID 448055
N-[1-(3,4-Dimethoxy-phenyl)-cyclopentylmethyl]-benzamide
CID 822914
Lidanserin
CID 68919
N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 703899
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-furyl)acrylamide
CID 878107
3-Furan-2-yl-N-[2-(4-methoxy-phenyl)-ethyl]-acrylamide
CID 963760
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4788144
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 24685929
(5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-furylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 5531279
3-Benzyl-3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 44353093

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide (CID 1362004) is (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide is COc1ccc(C2(CNC(=O)/C=C/c3ccco3)CCCC2)cc1OC.
What is the InChIKey of (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is MBUHXLRLEXBOPE-CSKARUKUSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-18-9-7-16(14-19(18)25-2)21(11-3-4-12-21)15-22-20(23)10-8-17-6-5-13-26-17/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,22,23)/b10-8+.
What are the key properties of (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 355.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 1362004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).