(E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide

C21H26N2O2 — CID 110302493

IUPAC(E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)NCC(c1ccco1)N1CCCC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-2-17(18-9-4-3-5-10-18)15-21(24)22-16-19(20-11-8-14-25-20)23-12-6-7-13-23/h3-5,8-11,14-15,19H,2,6-7,12-13,16H2,1H3,(H,22,24)/b17-15+
InChIKeyVTBYVOIBWMAFJU-BMRADRMJSA-N
MW338.45 g/mol
LogP4.03
Rot. Bonds7

About (E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide

(E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide (PubChem CID 110302493) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide
PubChem CID110302493
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide
SMILESCC/C(=C\C(=O)NCC(c1ccco1)N1CCCC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-2-17(18-9-4-3-5-10-18)15-21(24)22-16-19(20-11-8-14-25-20)23-12-6-7-13-23/h3-5,8-11,14-15,19H,2,6-7,12-13,16H2,1H3,(H,22,24)/b17-15+
InChIKeyVTBYVOIBWMAFJU-BMRADRMJSA-N
XLogP4.03
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.03
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

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
(2R)-2-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 94956250
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide
CID 110312900
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522317
(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 79023553
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide?
The IUPAC name of (E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide (CID 110302493) is (E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide.
What is the SMILES notation for (E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide?
The canonical SMILES for (E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide is CC/C(=C\C(=O)NCC(c1ccco1)N1CCCC1)c1ccccc1.
What is the InChIKey of (E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide?
The InChIKey is VTBYVOIBWMAFJU-BMRADRMJSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-17(18-9-4-3-5-10-18)15-21(24)22-16-19(20-11-8-14-25-20)23-12-6-7-13-23/h3-5,8-11,14-15,19H,2,6-7,12-13,16H2,1H3,(H,22,24)/b17-15+.
What are the key properties of (E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide?
(E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide has a molecular weight of 338.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpent-2-enamide is sourced from PubChem (CID 110302493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).