2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide

C15H24N2O2 — CID 62508898

IUPAC2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
SMILESCc1ccc(N)c(C(=O)NCCOCCC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)6-8-19-9-7-17-15(18)13-10-12(3)4-5-14(13)16/h4-5,10-11H,6-9,16H2,1-3H3,(H,17,18)
InChIKeyZQLTYGKGXLFUPV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.37
Rot. Bonds7

About 2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide

2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide (PubChem CID 62508898) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
PubChem CID62508898
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
SMILESCc1ccc(N)c(C(=O)NCCOCCC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)6-8-19-9-7-17-15(18)13-10-12(3)4-5-14(13)16/h4-5,10-11H,6-9,16H2,1-3H3,(H,17,18)
InChIKeyZQLTYGKGXLFUPV-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.37
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-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 62511103
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
2-amino-N-(3-butoxypropyl)-5-methylbenzamide
CID 110485990
2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107836086
2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 103853593
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835
2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide
CID 113491855
5-chloro-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62243489
2-chloro-N-[2-(3-methylbutoxy)ethyl]-5-sulfanylbenzamide
CID 107027369
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
CID 63117353
1-(2-amino-5-methylphenyl)-4-methylpentan-1-one
CID 116581267

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide?
The IUPAC name of 2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide (CID 62508898) is 2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide.
What is the SMILES notation for 2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide?
The canonical SMILES for 2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide is Cc1ccc(N)c(C(=O)NCCOCCC(C)C)c1.
What is the InChIKey of 2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide?
The InChIKey is ZQLTYGKGXLFUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)6-8-19-9-7-17-15(18)13-10-12(3)4-5-14(13)16/h4-5,10-11H,6-9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide?
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide has a molecular weight of 264.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide is sourced from PubChem (CID 62508898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).