5-amino-2-methoxy-N-(3-propoxypropyl)benzamide

C14H22N2O3 — CID 82949458

IUPAC5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
SMILESCCCOCCCNC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O3/c1-3-8-19-9-4-7-16-14(17)12-10-11(15)5-6-13(12)18-2/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyZSKMXAUTQZQTHN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.82
Rot. Bonds8

About 5-amino-2-methoxy-N-(3-propoxypropyl)benzamide

5-amino-2-methoxy-N-(3-propoxypropyl)benzamide (PubChem CID 82949458) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(3-propoxypropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
PubChem CID82949458
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
SMILESCCCOCCCNC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O3/c1-3-8-19-9-4-7-16-14(17)12-10-11(15)5-6-13(12)18-2/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17)
InChIKeyZSKMXAUTQZQTHN-UHFFFAOYSA-N
XLogP1.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
5-amino-N-butyl-2-ethoxybenzamide
CID 28689998
5-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62634324
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
CID 104932681
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62975328
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
CID 61138881

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(3-propoxypropyl)benzamide?
The IUPAC name of 5-amino-2-methoxy-N-(3-propoxypropyl)benzamide (CID 82949458) is 5-amino-2-methoxy-N-(3-propoxypropyl)benzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(3-propoxypropyl)benzamide?
The canonical SMILES for 5-amino-2-methoxy-N-(3-propoxypropyl)benzamide is CCCOCCCNC(=O)c1cc(N)ccc1OC.
What is the InChIKey of 5-amino-2-methoxy-N-(3-propoxypropyl)benzamide?
The InChIKey is ZSKMXAUTQZQTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-8-19-9-4-7-16-14(17)12-10-11(15)5-6-13(12)18-2/h5-6,10H,3-4,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-2-methoxy-N-(3-propoxypropyl)benzamide?
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide has a molecular weight of 266.34 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(3-propoxypropyl)benzamide is sourced from PubChem (CID 82949458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).