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

C12H18N2O3 — CID 54878569

IUPAC2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C12H18N2O3/c1-16-7-3-6-14-12(15)10-8-9(17-2)4-5-11(10)13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyGQDKLXGWVDJXCR-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.04
Rot. Bonds6

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

2-amino-5-methoxy-N-(3-methoxypropyl)benzamide (PubChem CID 54878569) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-5-methoxy-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
PubChem CID54878569
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
SMILESCOCCCNC(=O)c1cc(OC)ccc1N
InChIInChI=1S/C12H18N2O3/c1-16-7-3-6-14-12(15)10-8-9(17-2)4-5-11(10)13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyGQDKLXGWVDJXCR-UHFFFAOYSA-N
XLogP1.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.04
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

2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-amino-5-methoxy-N-(4,4,4-trifluorobutyl)benzamide
CID 115514769
5-[(2-amino-5-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104685620
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506
2-amino-N-(3-hydroxybutyl)-5-methoxybenzamide
CID 64927216
2-amino-5-[2-(3-methoxypropylamino)-2-oxoethoxy]benzoic acid
CID 107077027
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61117267
2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
CID 115405286
2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79756137
2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
CID 61241340

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2-amino-5-methoxy-N-(3-methoxypropyl)benzamide (CID 54878569) is 2-amino-5-methoxy-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-amino-5-methoxy-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2-amino-5-methoxy-N-(3-methoxypropyl)benzamide is COCCCNC(=O)c1cc(OC)ccc1N.
What is the InChIKey of 2-amino-5-methoxy-N-(3-methoxypropyl)benzamide?
The InChIKey is GQDKLXGWVDJXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-7-3-6-14-12(15)10-8-9(17-2)4-5-11(10)13/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-5-methoxy-N-(3-methoxypropyl)benzamide?
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide has a molecular weight of 238.29 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 54878569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).