2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide

C14H20N2O — CID 106591319

IUPAC2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide
SMILESCC(C(=O)NC1CC1(C)C)c1cccc(N)c1
InChIInChI=1S/C14H20N2O/c1-9(10-5-4-6-11(15)7-10)13(17)16-12-8-14(12,2)3/h4-7,9,12H,8,15H2,1-3H3,(H,16,17)
InChIKeyMHDXXEJMNVMEPA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.29
Rot. Bonds3

About 2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide

2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide (PubChem CID 106591319) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide
PubChem CID106591319
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide
SMILESCC(C(=O)NC1CC1(C)C)c1cccc(N)c1
InChIInChI=1S/C14H20N2O/c1-9(10-5-4-6-11(15)7-10)13(17)16-12-8-14(12,2)3/h4-7,9,12H,8,15H2,1-3H3,(H,16,17)
InChIKeyMHDXXEJMNVMEPA-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.29
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

2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 106590880
2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide
CID 106591567
2-(3-aminophenyl)-N-(2-methoxycyclopentyl)propanamide
CID 106591347
2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide
CID 106591816
2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
CID 106591532
2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide
CID 106591528
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
CID 106591180
2-(3-aminophenyl)propanoate
CID 71650577
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide (CID 106591319) is 2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide is CC(C(=O)NC1CC1(C)C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide?
The InChIKey is MHDXXEJMNVMEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(10-5-4-6-11(15)7-10)13(17)16-12-8-14(12,2)3/h4-7,9,12H,8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide?
2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide has a molecular weight of 232.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide is sourced from PubChem (CID 106591319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).