N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide

C19H22N2O4 — CID 3751982

IUPACN-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCOc1ccccc1CCNC(=O)CNC(=O)C=Cc1ccco1
InChIInChI=1S/C19H22N2O4/c1-2-24-17-8-4-3-6-15(17)11-12-20-19(23)14-21-18(22)10-9-16-7-5-13-25-16/h3-10,13H,2,11-12,14H2,1H3,(H,20,23)(H,21,22)
InChIKeyVBTPOKVRKSGMFJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.17
Rot. Bonds9

About N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide

N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 3751982) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID3751982
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
SMILESCCOc1ccccc1CCNC(=O)CNC(=O)C=Cc1ccco1
InChIInChI=1S/C19H22N2O4/c1-2-24-17-8-4-3-6-15(17)11-12-20-19(23)14-21-18(22)10-9-16-7-5-13-25-16/h3-10,13H,2,11-12,14H2,1H3,(H,20,23)(H,21,22)
InChIKeyVBTPOKVRKSGMFJ-UHFFFAOYSA-N
XLogP2.17
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 8699004
N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119772879
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
(E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 27447138
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119317380
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 9010151
N-[2-(2-ethoxyphenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110025226
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 55338622
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 4820792

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide (CID 3751982) is N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is CCOc1ccccc1CCNC(=O)CNC(=O)C=Cc1ccco1.
What is the InChIKey of N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is VBTPOKVRKSGMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-24-17-8-4-3-6-15(17)11-12-20-19(23)14-21-18(22)10-9-16-7-5-13-25-16/h3-10,13H,2,11-12,14H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide?
N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-ethoxyphenyl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 3751982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).