2-amino-N-(3-methoxypropyl)-6-methylbenzamide

C12H18N2O2 — CID 43153249

IUPAC2-amino-N-(3-methoxypropyl)-6-methylbenzamide
SMILESCOCCCNC(=O)c1c(C)cccc1N
InChIInChI=1S/C12H18N2O2/c1-9-5-3-6-10(13)11(9)12(15)14-7-4-8-16-2/h3,5-6H,4,7-8,13H2,1-2H3,(H,14,15)
InChIKeyHYYHKWDHADPMME-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.34
Rot. Bonds5

About 2-amino-N-(3-methoxypropyl)-6-methylbenzamide

2-amino-N-(3-methoxypropyl)-6-methylbenzamide (PubChem CID 43153249) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-(3-methoxypropyl)-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3-methoxypropyl)-6-methylbenzamide
PubChem CID43153249
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-(3-methoxypropyl)-6-methylbenzamide
SMILESCOCCCNC(=O)c1c(C)cccc1N
InChIInChI=1S/C12H18N2O2/c1-9-5-3-6-10(13)11(9)12(15)14-7-4-8-16-2/h3,5-6H,4,7-8,13H2,1-2H3,(H,14,15)
InChIKeyHYYHKWDHADPMME-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-6-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 63980673
2-amino-6-methyl-N-(4-methylpentyl)benzamide
CID 61125190
2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
2-amino-6-methyl-N-(2-prop-2-enoxyethyl)benzamide
CID 114264552
2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide
CID 61102735
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzamide
CID 63825291
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
CID 114171364
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
[2-(3-methoxypropylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662025

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxypropyl)-6-methylbenzamide?
The IUPAC name of 2-amino-N-(3-methoxypropyl)-6-methylbenzamide (CID 43153249) is 2-amino-N-(3-methoxypropyl)-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3-methoxypropyl)-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(3-methoxypropyl)-6-methylbenzamide is COCCCNC(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N-(3-methoxypropyl)-6-methylbenzamide?
The InChIKey is HYYHKWDHADPMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-3-6-10(13)11(9)12(15)14-7-4-8-16-2/h3,5-6H,4,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(3-methoxypropyl)-6-methylbenzamide?
2-amino-N-(3-methoxypropyl)-6-methylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxypropyl)-6-methylbenzamide is sourced from PubChem (CID 43153249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).