N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide

C16H28N4O — CID 63695280

IUPACN-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCN(C)CCN(C)C
InChIInChI=1S/C16H28N4O/c1-13-7-8-14(17)12-15(13)18-16(21)6-5-9-20(4)11-10-19(2)3/h7-8,12H,5-6,9-11,17H2,1-4H3,(H,18,21)
InChIKeyWVHQEGWRKORBNE-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.79
Rot. Bonds8

About N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide

N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide (PubChem CID 63695280) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
PubChem CID63695280
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
SMILESCc1ccc(N)cc1NC(=O)CCCN(C)CCN(C)C
InChIInChI=1S/C16H28N4O/c1-13-7-8-14(17)12-15(13)18-16(21)6-5-9-20(4)11-10-19(2)3/h7-8,12H,5-6,9-11,17H2,1-4H3,(H,18,21)
InChIKeyWVHQEGWRKORBNE-UHFFFAOYSA-N
XLogP1.79
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733
N-(5-amino-2-methylphenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985413
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63693562
N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
CID 43294488
N'-(5-amino-2-methylphenyl)-N-propylpentanediamide
CID 120568724

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide (CID 63695280) is N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide is Cc1ccc(N)cc1NC(=O)CCCN(C)CCN(C)C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide?
The InChIKey is WVHQEGWRKORBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13-7-8-14(17)12-15(13)18-16(21)6-5-9-20(4)11-10-19(2)3/h7-8,12H,5-6,9-11,17H2,1-4H3,(H,18,21).
What are the key properties of N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide?
N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide has a molecular weight of 292.43 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide is sourced from PubChem (CID 63695280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).