N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide

C14H23N3O — CID 43270832

IUPACN-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
SMILESCCCN(C)CCC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C14H23N3O/c1-4-8-17(3)9-7-14(18)16-13-6-5-12(15)10-11(13)2/h5-6,10H,4,7-9,15H2,1-3H3,(H,16,18)
InChIKeyBSOGGOJPEDJLKX-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.25
Rot. Bonds6

About N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide

N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide (PubChem CID 43270832) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
PubChem CID43270832
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
SMILESCCCN(C)CCC(=O)Nc1ccc(N)cc1C
InChIInChI=1S/C14H23N3O/c1-4-8-17(3)9-7-14(18)16-13-6-5-12(15)10-11(13)2/h5-6,10H,4,7-9,15H2,1-3H3,(H,16,18)
InChIKeyBSOGGOJPEDJLKX-UHFFFAOYSA-N
XLogP2.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.25
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-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(4-amino-2-methylphenyl)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanamide
CID 63878531
N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569678
N-(4-amino-2-methylphenyl)propanamide
CID 839309
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265362
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519
N-(4-amino-2-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]acetamide
CID 43588199
N-(5-amino-2-fluorophenyl)-3-[methyl(pentyl)amino]propanamide
CID 43294452
N-(4-amino-2-methylphenyl)-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862492
N-(4-amino-2-methylphenyl)-2-(dipropylamino)propanamide
CID 16779619
N-(4-amino-2-methylphenyl)-3-hexoxypropanamide
CID 43127219

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide (CID 43270832) is N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide is CCCN(C)CCC(=O)Nc1ccc(N)cc1C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide?
The InChIKey is BSOGGOJPEDJLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-8-17(3)9-7-14(18)16-13-6-5-12(15)10-11(13)2/h5-6,10H,4,7-9,15H2,1-3H3,(H,16,18).
What are the key properties of N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide?
N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide has a molecular weight of 249.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide is sourced from PubChem (CID 43270832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).