N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide

C17H29N3O — CID 79481491

IUPACN-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(CC)CCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C17H29N3O/c1-5-13(3)12-20(6-2)10-9-17(21)19-16-11-15(18)8-7-14(16)4/h7-8,11,13H,5-6,9-10,12,18H2,1-4H3,(H,19,21)
InChIKeyZPNTUXILNJFKNK-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.27
Rot. Bonds8

About N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide

N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide (PubChem CID 79481491) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide
PubChem CID79481491
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(CC)CCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C17H29N3O/c1-5-13(3)12-20(6-2)10-9-17(21)19-16-11-15(18)8-7-14(16)4/h7-8,11,13H,5-6,9-10,12,18H2,1-4H3,(H,19,21)
InChIKeyZPNTUXILNJFKNK-UHFFFAOYSA-N
XLogP3.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733
N-(5-amino-2-methylphenyl)-3-(2-methylbutylsulfanyl)propanamide
CID 107748913
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295359
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)-4-butan-2-yloxybutanamide
CID 54943854
N-(5-amino-2-methylphenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985413
N-(5-amino-2-methylphenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 120568425
N-(5-amino-2-methylphenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384794
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide (CID 79481491) is N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide is CCC(C)CN(CC)CCC(=O)Nc1cc(N)ccc1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide?
The InChIKey is ZPNTUXILNJFKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-13(3)12-20(6-2)10-9-17(21)19-16-11-15(18)8-7-14(16)4/h7-8,11,13H,5-6,9-10,12,18H2,1-4H3,(H,19,21).
What are the key properties of N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide?
N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide has a molecular weight of 291.44 g/mol, XLogP of 3.27, 8 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)-3-[ethyl(2-methylbutyl)amino]propanamide is sourced from PubChem (CID 79481491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).