(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide

C21H19NO2 — CID 790450

IUPAC(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H19NO2/c23-21(14-13-20-12-7-15-24-20)22(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-15H,16-17H2/b14-13+
InChIKeyYPJUEEYNRSPYJV-BUHFOSPRSA-N
MW317.39 g/mol
LogP4.52
Rot. Bonds6

About (E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide

(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide (PubChem CID 790450) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
PubChem CID790450
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H19NO2/c23-21(14-13-20-12-7-15-24-20)22(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-15H,16-17H2/b14-13+
InChIKeyYPJUEEYNRSPYJV-BUHFOSPRSA-N
XLogP4.52
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[2-[benzyl-[3-(furan-2-yl)prop-2-enoyl]amino]ethyl]-3-(furan-2-yl)prop-2-enamide
CID 2920998
(E)-N-(3-aminopropyl)-N-benzyl-3-(furan-2-yl)prop-2-enamide
CID 107366136
(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 6132853
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
2-[3-(furan-2-yl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79256893
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-(furan-2-yl)prop-2-enamide
CID 75905221
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(E)-N-benzyl-N-(furan-2-ylmethyl)-3-(4-methylphenyl)prop-2-enamide
CID 18830821
N-benzyl-3-(2-fluorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 85492334
(E)-N-benzyl-3-(2-chlorophenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 18830823
3-(furan-2-yl)prop-2-enoic acid
CID 159116571

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide (CID 790450) is (E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide?
The InChIKey is YPJUEEYNRSPYJV-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H19NO2/c23-21(14-13-20-12-7-15-24-20)22(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-15H,16-17H2/b14-13+.
What are the key properties of (E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide?
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide has a molecular weight of 317.39 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 790450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).