N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide

C15H25N3O — CID 55006642

IUPACN-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
SMILESCC(N(C)CC(=O)Nc1cccc(N)c1)C(C)(C)C
InChIInChI=1S/C15H25N3O/c1-11(15(2,3)4)18(5)10-14(19)17-13-8-6-7-12(16)9-13/h6-9,11H,10,16H2,1-5H3,(H,17,19)
InChIKeyOEAGDCLVCANRMQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.57
Rot. Bonds4

About N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide

N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide (PubChem CID 55006642) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
PubChem CID55006642
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
SMILESCC(N(C)CC(=O)Nc1cccc(N)c1)C(C)(C)C
InChIInChI=1S/C15H25N3O/c1-11(15(2,3)4)18(5)10-14(19)17-13-8-6-7-12(16)9-13/h6-9,11H,10,16H2,1-5H3,(H,17,19)
InChIKeyOEAGDCLVCANRMQ-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.57
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-(3-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569671
N-(3-aminophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81058953
3-[[2-(3-aminoanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 82224717
N-(3-aminophenyl)-2-(N-methylanilino)acetamide
CID 16779401
N-(3,5-dimethoxyphenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
CID 46594714
N-(3-aminophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384491
2-[[1-(3-aminoanilino)-3-methyl-1-oxobutan-2-yl]-methylamino]acetic acid
CID 82224656
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 46594715
N-(3-aminophenyl)-2-[2-cyanopropyl(ethyl)amino]acetamide
CID 54988178
N-[3-(aminomethyl)phenyl]-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 43569718
N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995366
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide?
The IUPAC name of N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide (CID 55006642) is N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide is CC(N(C)CC(=O)Nc1cccc(N)c1)C(C)(C)C.
What is the InChIKey of N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide?
The InChIKey is OEAGDCLVCANRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(15(2,3)4)18(5)10-14(19)17-13-8-6-7-12(16)9-13/h6-9,11H,10,16H2,1-5H3,(H,17,19).
What are the key properties of N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide?
N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide has a molecular weight of 263.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide is sourced from PubChem (CID 55006642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).