N-[(3-aminophenyl)methyl]-4-methylpentanamide

C13H20N2O — CID 62500233

IUPACN-[(3-aminophenyl)methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCc1cccc(N)c1
InChIInChI=1S/C13H20N2O/c1-10(2)6-7-13(16)15-9-11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyOPNYOIMPIKBFDQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.32
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-4-methylpentanamide

N-[(3-aminophenyl)methyl]-4-methylpentanamide (PubChem CID 62500233) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-4-methylpentanamide
PubChem CID62500233
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[(3-aminophenyl)methyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCc1cccc(N)c1
InChIInChI=1S/C13H20N2O/c1-10(2)6-7-13(16)15-9-11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16)
InChIKeyOPNYOIMPIKBFDQ-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112601877
methyl 3-[(4-methylpentanoylamino)methyl]benzoate
CID 144669400
ethyl 3-[(3-aminophenyl)methylamino]-3-oxopropanoate
CID 110480910
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
4-(3-aminophenyl)-N-(2-methylpropyl)butanamide
CID 94262385
N-[(3-aminophenyl)methyl]-2-ethoxyacetamide
CID 62499956
N-[(3-aminophenyl)methyl]-3-phenoxypropanamide
CID 62499937
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62553117
[2-(3-methylbutylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695575
3-[(3-aminophenyl)methyl]-1,1-dimethylurea
CID 79153723

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-4-methylpentanamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-4-methylpentanamide (CID 62500233) is N-[(3-aminophenyl)methyl]-4-methylpentanamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-4-methylpentanamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-4-methylpentanamide is CC(C)CCC(=O)NCc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-4-methylpentanamide?
The InChIKey is OPNYOIMPIKBFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)6-7-13(16)15-9-11-4-3-5-12(14)8-11/h3-5,8,10H,6-7,9,14H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-aminophenyl)methyl]-4-methylpentanamide?
N-[(3-aminophenyl)methyl]-4-methylpentanamide has a molecular weight of 220.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 62500233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).