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

C16H27N3O — CID 43569671

IUPACN-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
SMILESCC(C)C(C)N(C)CCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H27N3O/c1-12(2)13(3)19(4)10-6-9-16(20)18-15-8-5-7-14(17)11-15/h5,7-8,11-13H,6,9-10,17H2,1-4H3,(H,18,20)
InChIKeyFXVHLYRHECBSFS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.96
Rot. Bonds7

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

N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide (PubChem CID 43569671) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
PubChem CID43569671
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
SMILESCC(C)C(C)N(C)CCCC(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H27N3O/c1-12(2)13(3)19(4)10-6-9-16(20)18-15-8-5-7-14(17)11-15/h5,7-8,11-13H,6,9-10,17H2,1-4H3,(H,18,20)
InChIKeyFXVHLYRHECBSFS-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569623
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
N-(3-aminophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butanamide
CID 79385176
N-(3-aminophenyl)-3-[bis(2-methylpropyl)amino]propanamide
CID 43587667
N-(3-aminophenyl)-4-[2-(2-methylpropoxy)ethoxy]butanamide
CID 106446919
N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
CID 55006642
N-(3-aminophenyl)-3-(N-methylanilino)propanamide
CID 16778596
3-[[1-(3-aminoanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 82224712
N-(3-aminophenyl)-4-butan-2-yloxybutanamide
CID 54943755
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569678
4-(2-amino-2-oxoethyl)sulfanyl-N-(3-aminophenyl)butanamide
CID 114231287

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide?
The IUPAC name of N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide (CID 43569671) is N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide.
What is the SMILES notation for N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide?
The canonical SMILES for N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide is CC(C)C(C)N(C)CCCC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide?
The InChIKey is FXVHLYRHECBSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)13(3)19(4)10-6-9-16(20)18-15-8-5-7-14(17)11-15/h5,7-8,11-13H,6,9-10,17H2,1-4H3,(H,18,20).
What are the key properties of N-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide?
N-(3-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-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide is sourced from PubChem (CID 43569671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).