5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide

C20H26N2O2 — CID 120626022

IUPAC5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide
SMILESCOCCCCN(Cc1ccccc1)C(=O)c1cc(N)ccc1C
InChIInChI=1S/C20H26N2O2/c1-16-10-11-18(21)14-19(16)20(23)22(12-6-7-13-24-2)15-17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15,21H2,1-2H3
InChIKeyUSHRFTAMROLDDO-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.65
Rot. Bonds8

About 5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide

5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide (PubChem CID 120626022) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide
PubChem CID120626022
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide
SMILESCOCCCCN(Cc1ccccc1)C(=O)c1cc(N)ccc1C
InChIInChI=1S/C20H26N2O2/c1-16-10-11-18(21)14-19(16)20(23)22(12-6-7-13-24-2)15-17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15,21H2,1-2H3
InChIKeyUSHRFTAMROLDDO-UHFFFAOYSA-N
XLogP3.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
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

5-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120632437
4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide
CID 61114080
3-amino-N-benzyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 119814507
N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide
CID 120648399
N-benzyl-N-(4-methoxybutyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 100909104
N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 99144006
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120623191
N-(2-aminoethyl)-N-benzyl-5-fluoro-2-methylbenzamide
CID 63047882
5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
CID 120630670
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
CID 82959703
4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 61107477

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide (CID 120626022) is 5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide is COCCCCN(Cc1ccccc1)C(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide?
The InChIKey is USHRFTAMROLDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16-10-11-18(21)14-19(16)20(23)22(12-6-7-13-24-2)15-17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15,21H2,1-2H3.
What are the key properties of 5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide?
5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide has a molecular weight of 326.44 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-N-(4-methoxybutyl)-2-methylbenzamide is sourced from PubChem (CID 120626022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).