2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide

C15H22N2O — CID 115055994

IUPAC2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)(C)c1ccc(C2(N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-4-17-13(18)14(2,3)11-5-7-12(8-6-11)15(16)9-10-15/h5-8H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyZLTBCQVWYLLFHP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.05
Rot. Bonds4

About 2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide

2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide (PubChem CID 115055994) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
PubChem CID115055994
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)(C)c1ccc(C2(N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-4-17-13(18)14(2,3)11-5-7-12(8-6-11)15(16)9-10-15/h5-8H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyZLTBCQVWYLLFHP-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
CID 115055951
2-[3-(1-aminocyclopropyl)phenyl]-N,2-dimethylpropanamide
CID 115039072
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide
CID 119625738
2-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopropyl-2-methylpropanamide
CID 115056293
2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide
CID 110487750
2-(4-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255526
2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114942256
N-[(1-hydroxycyclobutyl)methyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 111445600
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-[2-(1-aminocyclopropyl)phenyl]-N-ethylacetamide
CID 115030861
2-(4-aminophenyl)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761269
2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119509414

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide?
The IUPAC name of 2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide (CID 115055994) is 2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for 2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for 2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide is CCNC(=O)C(C)(C)c1ccc(C2(N)CC2)cc1.
What is the InChIKey of 2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide?
The InChIKey is ZLTBCQVWYLLFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-17-13(18)14(2,3)11-5-7-12(8-6-11)15(16)9-10-15/h5-8H,4,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide?
2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 115055994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).