3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide

C15H22N2O — CID 115055951

IUPAC3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)Cc1ccc(C2(N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-3-17-14(18)11(2)10-12-4-6-13(7-5-12)15(16)8-9-15/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyASVIBDAFFKOWHA-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.95
Rot. Bonds5

About 3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide

3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide (PubChem CID 115055951) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
PubChem CID115055951
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
SMILESCCNC(=O)C(C)Cc1ccc(C2(N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-3-17-14(18)11(2)10-12-4-6-13(7-5-12)15(16)8-9-15/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyASVIBDAFFKOWHA-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[4-(1-aminocyclopropyl)phenyl]-2-methylpropanoate
CID 115039582
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627
2-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
CID 115055994
4-[4-(1-aminocyclopropyl)phenyl]butan-2-ol
CID 117112400
1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide
CID 115055777
2-ethyl-2-[[[2-methyl-3-(4-methylphenyl)propanoyl]amino]methyl]butanoic acid
CID 120688863
3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 48846361
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 118902313

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide?
The IUPAC name of 3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide (CID 115055951) is 3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for 3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for 3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide is CCNC(=O)C(C)Cc1ccc(C2(N)CC2)cc1.
What is the InChIKey of 3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide?
The InChIKey is ASVIBDAFFKOWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-17-14(18)11(2)10-12-4-6-13(7-5-12)15(16)8-9-15/h4-7,11H,3,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide?
3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 115055951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).