5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide

C12H18N2O4 — CID 55083724

IUPAC5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCCOCCO
InChIInChI=1S/C12H18N2O4/c1-17-11-3-2-9(13)8-10(11)12(16)14-4-6-18-7-5-15/h2-3,8,15H,4-7,13H2,1H3,(H,14,16)
InChIKeyZAKXMQYXJIYVPK-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.02
Rot. Bonds7

About 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide

5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide (PubChem CID 55083724) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
PubChem CID55083724
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCCOCCO
InChIInChI=1S/C12H18N2O4/c1-17-11-3-2-9(13)8-10(11)12(16)14-4-6-18-7-5-15/h2-3,8,15H,4-7,13H2,1H3,(H,14,16)
InChIKeyZAKXMQYXJIYVPK-UHFFFAOYSA-N
XLogP0.02
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
CID 82949458
N-[2-(2-hydroxyethoxy)ethyl]-2,4-dimethoxybenzamide
CID 60654650
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
CID 104932681
4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 62498440
5-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62634324
4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide
CID 106391867
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
CID 114297830
5-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxybenzamide
CID 114755608
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62975328

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide (CID 55083724) is 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide is COc1ccc(N)cc1C(=O)NCCOCCO.
What is the InChIKey of 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide?
The InChIKey is ZAKXMQYXJIYVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-11-3-2-9(13)8-10(11)12(16)14-4-6-18-7-5-15/h2-3,8,15H,4-7,13H2,1H3,(H,14,16).
What are the key properties of 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide?
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide has a molecular weight of 254.29 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 55083724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).