2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide

C16H20N2O3 — CID 76894772

IUPAC2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCN(Cc1ccco1)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C16H20N2O3/c1-2-18(11-14-4-3-9-21-14)16(20)15(17)10-12-5-7-13(19)8-6-12/h3-9,15,19H,2,10-11,17H2,1H3
InChIKeyBVINFKPWCLCLBH-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.90
Rot. Bonds6

About 2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide

2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 76894772) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID76894772
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCN(Cc1ccco1)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C16H20N2O3/c1-2-18(11-14-4-3-9-21-14)16(20)15(17)10-12-5-7-13(19)8-6-12/h3-9,15,19H,2,10-11,17H2,1H3
InChIKeyBVINFKPWCLCLBH-UHFFFAOYSA-N
XLogP1.90
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-ethyl-N-(furan-2-ylmethyl)pentanamide
CID 107568950
(2S)-2-amino-N-ethyl-N-(furan-2-ylmethyl)hexanamide
CID 113357146
(2R)-2-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxyphenyl)propanamide
CID 103101968
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methylbutyl)propanamide
CID 114350573
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119958302
N-ethyl-N-(furan-2-ylmethyl)-2-sulfanylpropanamide
CID 107024393
2-amino-N-ethyl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76904317
(2S)-2-amino-N-butyl-N-(furan-2-ylmethyl)-3-(1,3-thiazol-4-yl)propanamide
CID 50972162
2-amino-N,N-bis(furan-2-ylmethyl)-3-methylpentanamide
CID 60938301
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propylpropanamide
CID 61163358
(2R)-2-amino-N,N-bis(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide
CID 104905118
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide (CID 76894772) is 2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide is CCN(Cc1ccco1)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is BVINFKPWCLCLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-18(11-14-4-3-9-21-14)16(20)15(17)10-12-5-7-13(19)8-6-12/h3-9,15,19H,2,10-11,17H2,1H3.
What are the key properties of 2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide?
2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(furan-2-ylmethyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 76894772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).