(Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide

C20H25NO3 — CID 110025714

IUPAC(Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide
SMILESCC/C(C)=C(/C)C(=O)N(Cc1ccccc1)CC(O)c1ccco1
InChIInChI=1S/C20H25NO3/c1-4-15(2)16(3)20(23)21(13-17-9-6-5-7-10-17)14-18(22)19-11-8-12-24-19/h5-12,18,22H,4,13-14H2,1-3H3/b16-15-
InChIKeyHYCIBVCSEJFTRF-NXVVXOECSA-N
MW327.42 g/mol
LogP4.09
Rot. Bonds7

About (Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide

(Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide (PubChem CID 110025714) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide
PubChem CID110025714
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide
SMILESCC/C(C)=C(/C)C(=O)N(Cc1ccccc1)CC(O)c1ccco1
InChIInChI=1S/C20H25NO3/c1-4-15(2)16(3)20(23)21(13-17-9-6-5-7-10-17)14-18(22)19-11-8-12-24-19/h5-12,18,22H,4,13-14H2,1-3H3/b16-15-
InChIKeyHYCIBVCSEJFTRF-NXVVXOECSA-N
XLogP4.09
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-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-benzyl-5-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 111969853
N-benzyl-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-6-methylpyridine-2-carboxamide
CID 97011240
N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 97011235
N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide
CID 111969855
N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 111969862
N-benzyl-2,4-difluoro-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylbenzamide
CID 75425042
(2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol
CID 111970128
N-benzyl-1-tert-butyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide
CID 139004625
3-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoic acid
CID 119152156
N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 84586214
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 119816817
2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 120638257

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide?
The IUPAC name of (Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide (CID 110025714) is (Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide?
The canonical SMILES for (Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide is CC/C(C)=C(/C)C(=O)N(Cc1ccccc1)CC(O)c1ccco1.
What is the InChIKey of (Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide?
The InChIKey is HYCIBVCSEJFTRF-NXVVXOECSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-15(2)16(3)20(23)21(13-17-9-6-5-7-10-17)14-18(22)19-11-8-12-24-19/h5-12,18,22H,4,13-14H2,1-3H3/b16-15-.
What are the key properties of (Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide?
(Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide has a molecular weight of 327.42 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide is sourced from PubChem (CID 110025714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).