N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide

C13H20N2O4 — CID 106307767

IUPACN-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCOCCN)cc1O
InChIInChI=1S/C13H20N2O4/c1-18-12-4-3-10(9-11(12)16)13(17)15-6-2-7-19-8-5-14/h3-4,9,16H,2,5-8,14H2,1H3,(H,15,17)
InChIKeyKLMFSUUSKSXQDJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.50
Rot. Bonds8

About N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide

N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide (PubChem CID 106307767) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide
PubChem CID106307767
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCOCCN)cc1O
InChIInChI=1S/C13H20N2O4/c1-18-12-4-3-10(9-11(12)16)13(17)15-6-2-7-19-8-5-14/h3-4,9,16H,2,5-8,14H2,1H3,(H,15,17)
InChIKeyKLMFSUUSKSXQDJ-UHFFFAOYSA-N
XLogP0.50
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 103857015
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide
CID 79733246
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
N-[3-(2-chloroethoxy)propyl]-4-fluoro-3-methoxybenzamide
CID 106306521
N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 114151462
3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
CID 79733240
N-[2-(4-aminophenyl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79737144
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide (CID 106307767) is N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCCCOCCN)cc1O.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide?
The InChIKey is KLMFSUUSKSXQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-18-12-4-3-10(9-11(12)16)13(17)15-6-2-7-19-8-5-14/h3-4,9,16H,2,5-8,14H2,1H3,(H,15,17).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide?
N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide has a molecular weight of 268.31 g/mol, XLogP of 0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 106307767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).