N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide

C15H25N3O — CID 43294488

IUPACN-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
SMILESCCCCCN(C)CC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H25N3O/c1-4-5-6-9-18(3)11-15(19)17-14-10-13(16)8-7-12(14)2/h7-8,10H,4-6,9,11,16H2,1-3H3,(H,17,19)
InChIKeyKWVDRIGBPDKNEQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.64
Rot. Bonds7

About N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide

N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide (PubChem CID 43294488) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
PubChem CID43294488
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
SMILESCCCCCN(C)CC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H25N3O/c1-4-5-6-9-18(3)11-15(19)17-14-10-13(16)8-7-12(14)2/h7-8,10H,4-6,9,11,16H2,1-3H3,(H,17,19)
InChIKeyKWVDRIGBPDKNEQ-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.64
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

N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280
N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914827
N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426561
N-(5-amino-2-methylphenyl)-2-butylsulfanylacetamide
CID 43615751
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61450515
N-(5-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 43526619

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide (CID 43294488) is N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide is CCCCCN(C)CC(=O)Nc1cc(N)ccc1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide?
The InChIKey is KWVDRIGBPDKNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-5-6-9-18(3)11-15(19)17-14-10-13(16)8-7-12(14)2/h7-8,10H,4-6,9,11,16H2,1-3H3,(H,17,19).
What are the key properties of N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide?
N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide is sourced from PubChem (CID 43294488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).