2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide

C14H20N2O3 — CID 166386957

IUPAC2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide
SMILESNc1cc(CC(=O)NCCOCC2CC2)ccc1O
InChIInChI=1S/C14H20N2O3/c15-12-7-11(3-4-13(12)17)8-14(18)16-5-6-19-9-10-1-2-10/h3-4,7,10,17H,1-2,5-6,8-9,15H2,(H,16,18)
InChIKeyJXGGKUYJMKBLKB-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.06
Rot. Bonds7

About 2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide

2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide (PubChem CID 166386957) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide
PubChem CID166386957
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide
SMILESNc1cc(CC(=O)NCCOCC2CC2)ccc1O
InChIInChI=1S/C14H20N2O3/c15-12-7-11(3-4-13(12)17)8-14(18)16-5-6-19-9-10-1-2-10/h3-4,7,10,17H,1-2,5-6,8-9,15H2,(H,16,18)
InChIKeyJXGGKUYJMKBLKB-UHFFFAOYSA-N
XLogP1.06
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-4-methoxybenzamide
CID 56783961
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide
CID 103762349
1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone
CID 114098802
2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide
CID 69307200
5-[2-(cyclopropylmethoxy)ethylcarbamoyl]furan-3-carboxylic acid
CID 113434091
2-(4-amino-3-hydroxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 69305950
5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 115297054
2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 65350539
N-[2-(cyclopropylmethoxy)ethyl]-3-fluoro-5-sulfamoylbenzamide
CID 103743834
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
N-[2-(cyclopropylmethoxy)ethyl]-4-(4-iodophenoxy)butanamide
CID 86900175
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide?
The IUPAC name of 2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide (CID 166386957) is 2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide?
The canonical SMILES for 2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide is Nc1cc(CC(=O)NCCOCC2CC2)ccc1O.
What is the InChIKey of 2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide?
The InChIKey is JXGGKUYJMKBLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-7-11(3-4-13(12)17)8-14(18)16-5-6-19-9-10-1-2-10/h3-4,7,10,17H,1-2,5-6,8-9,15H2,(H,16,18).
What are the key properties of 2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide?
2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide has a molecular weight of 264.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide is sourced from PubChem (CID 166386957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).