N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide

C13H20N2O2 — CID 43601526

IUPACN-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide
SMILESCCNCCCNC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-2-14-8-3-9-15-13(17)10-11-4-6-12(16)7-5-11/h4-7,14,16H,2-3,8-10H2,1H3,(H,15,17)
InChIKeyXKDCQPVPHXHNLP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.05
Rot. Bonds7

About N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide

N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 43601526) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide
PubChem CID43601526
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide
SMILESCCNCCCNC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C13H20N2O2/c1-2-14-8-3-9-15-13(17)10-11-4-6-12(16)7-5-11/h4-7,14,16H,2-3,8-10H2,1H3,(H,15,17)
InChIKeyXKDCQPVPHXHNLP-UHFFFAOYSA-N
XLogP1.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.05
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-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
2-(3,4-dichlorophenyl)-N-[3-(ethylamino)propyl]acetamide
CID 55146750
N-[2-(diethylamino)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 110463127
3-(4-hydroxyphenyl)-N-[3-[4-[3-[3-(4-hydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
CID 101370520
2-(4-hydroxyphenyl)-N-(2-sulfanylethyl)acetamide
CID 137320446
2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119432439
2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide
CID 167019595
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
N-[3-(ethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 43601616
2-(3,4-dihydroxyphenyl)-N-[3-[2-[[2-(3,4-dihydroxyphenyl)acetyl]amino]ethylamino]propyl]acetamide
CID 71541168
N-[3-(ethylamino)propyl]-3-oxobutanamide
CID 170655625

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide (CID 43601526) is N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide is CCNCCCNC(=O)Cc1ccc(O)cc1.
What is the InChIKey of N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is XKDCQPVPHXHNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-14-8-3-9-15-13(17)10-11-4-6-12(16)7-5-11/h4-7,14,16H,2-3,8-10H2,1H3,(H,15,17).
What are the key properties of N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide?
N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 43601526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).