N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide

C16H27N3O — CID 43569623

IUPACN-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
SMILESCC(C)C(C)N(C)CCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C16H27N3O/c1-12(2)13(3)19(4)11-5-6-16(20)18-15-9-7-14(17)8-10-15/h7-10,12-13H,5-6,11,17H2,1-4H3,(H,18,20)
InChIKeyXRVGGRKZRSKXRL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.96
Rot. Bonds7

About N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide

N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide (PubChem CID 43569623) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
PubChem CID43569623
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
SMILESCC(C)C(C)N(C)CCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C16H27N3O/c1-12(2)13(3)19(4)11-5-6-16(20)18-15-9-7-14(17)8-10-15/h7-10,12-13H,5-6,11,17H2,1-4H3,(H,18,20)
InChIKeyXRVGGRKZRSKXRL-UHFFFAOYSA-N
XLogP2.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569671
N-(4-aminophenyl)-4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanamide
CID 115985414
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide
CID 103101347
N-(4-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79383773
N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
CID 81053044
N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569678
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
N-(4-aminophenyl)-3-(dibutylamino)propanamide
CID 28982366
N-(4-aminophenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374496
N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374573
N-(4-aminophenyl)-4-[methyl(oxolan-3-yl)amino]butanamide
CID 82732033

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide?
The IUPAC name of N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide (CID 43569623) is N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide.
What is the SMILES notation for N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide?
The canonical SMILES for N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide is CC(C)C(C)N(C)CCCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide?
The InChIKey is XRVGGRKZRSKXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)13(3)19(4)11-5-6-16(20)18-15-9-7-14(17)8-10-15/h7-10,12-13H,5-6,11,17H2,1-4H3,(H,18,20).
What are the key properties of N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide?
N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide has a molecular weight of 277.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide is sourced from PubChem (CID 43569623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).