2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide

C14H22N2O — CID 62499334

IUPAC2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide
SMILESCCC(CC)N(C)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-4-13(5-2)16(3)14(17)10-11-7-6-8-12(15)9-11/h6-9,13H,4-5,10,15H2,1-3H3
InChIKeyJCHDWILZJZKCAV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.46
Rot. Bonds5

About 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide

2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide (PubChem CID 62499334) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide
PubChem CID62499334
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide
SMILESCCC(CC)N(C)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H22N2O/c1-4-13(5-2)16(3)14(17)10-11-7-6-8-12(15)9-11/h6-9,13H,4-5,10,15H2,1-3H3
InChIKeyJCHDWILZJZKCAV-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63221975
2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
CID 62498182
2-[[2-(3-aminophenyl)acetyl]-methylamino]benzoic acid
CID 65349872
1-(3-aminophenyl)-4-ethylhexan-2-one
CID 116577226
2-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)acetamide
CID 62499017
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
CID 106590925
2-(3-aminophenyl)-N-(2,4-dimethylphenyl)-N-methylacetamide
CID 62500171
ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate
CID 62498045
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
[2-(dimethylamino)-2-oxoethyl] 2-(3-aminophenyl)acetate
CID 62499868
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 104550949

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide (CID 62499334) is 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide is CCC(CC)N(C)C(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide?
The InChIKey is JCHDWILZJZKCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-13(5-2)16(3)14(17)10-11-7-6-8-12(15)9-11/h6-9,13H,4-5,10,15H2,1-3H3.
What are the key properties of 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide?
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide has a molecular weight of 234.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide is sourced from PubChem (CID 62499334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).