N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide

C20H26N2O2 — CID 173196459

IUPACN-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide
SMILESCCNC(=O)CCc1ccc(CNCCc2ccc(O)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-22-20(24)12-9-16-3-5-18(6-4-16)15-21-14-13-17-7-10-19(23)11-8-17/h3-8,10-11,21,23H,2,9,12-15H2,1H3,(H,22,24)
InChIKeyADXYYAOZMDUBAM-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.79
Rot. Bonds9

About N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide

N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide (PubChem CID 173196459) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide
PubChem CID173196459
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide
SMILESCCNC(=O)CCc1ccc(CNCCc2ccc(O)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-2-22-20(24)12-9-16-3-5-18(6-4-16)15-21-14-13-17-7-10-19(23)11-8-17/h3-8,10-11,21,23H,2,9,12-15H2,1H3,(H,22,24)
InChIKeyADXYYAOZMDUBAM-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
CID 101370520
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
4-[[[3-(ethylamino)-3-oxopropyl]amino]methyl]benzamide
CID 113409672
4-[3-(ethylamino)-3-oxopropyl]benzoic acid
CID 83796764
4-[2-[(4-tert-butylphenyl)methylamino]ethyl]phenol
CID 61239050
N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 11960750
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
4-[2-[(4-bromophenyl)methylamino]ethyl]phenol
CID 61236714
methyl 3-[[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]-dimethylsilyl]propanoate
CID 10595430
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
CID 143274718

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide?
The IUPAC name of N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide (CID 173196459) is N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide.
What is the SMILES notation for N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide?
The canonical SMILES for N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide is CCNC(=O)CCc1ccc(CNCCc2ccc(O)cc2)cc1.
What is the InChIKey of N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide?
The InChIKey is ADXYYAOZMDUBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-22-20(24)12-9-16-3-5-18(6-4-16)15-21-14-13-17-7-10-19(23)11-8-17/h3-8,10-11,21,23H,2,9,12-15H2,1H3,(H,22,24).
What are the key properties of N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide?
N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide is sourced from PubChem (CID 173196459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).