3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide

C15H22N2O — CID 115056245

IUPAC3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide
SMILESCCNC(=O)CCc1ccc(CC2(N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-17-14(18)8-7-12-3-5-13(6-4-12)11-15(16)9-10-15/h3-6H,2,7-11,16H2,1H3,(H,17,18)
InChIKeyNNSVNLJEHBJMAK-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.79
Rot. Bonds6

About 3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide

3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide (PubChem CID 115056245) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide
PubChem CID115056245
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide
SMILESCCNC(=O)CCc1ccc(CC2(N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-17-14(18)8-7-12-3-5-13(6-4-12)11-15(16)9-10-15/h3-6H,2,7-11,16H2,1H3,(H,17,18)
InChIKeyNNSVNLJEHBJMAK-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(ethylamino)-3-oxopropyl]benzoic acid
CID 83796764
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
2-[2-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylacetamide
CID 115039045
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)propanamide
CID 115271070
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide
CID 115056058
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropanamide
CID 53288864
N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide
CID 173196459
1-amino-N-[2-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189931
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
N-ethyl-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 5211556
3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide
CID 114107058
N-[(3-hydroxythiolan-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 111596948

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide?
The IUPAC name of 3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide (CID 115056245) is 3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide.
What is the SMILES notation for 3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide?
The canonical SMILES for 3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide is CCNC(=O)CCc1ccc(CC2(N)CC2)cc1.
What is the InChIKey of 3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide?
The InChIKey is NNSVNLJEHBJMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-17-14(18)8-7-12-3-5-13(6-4-12)11-15(16)9-10-15/h3-6H,2,7-11,16H2,1H3,(H,17,18).
What are the key properties of 3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide?
3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide has a molecular weight of 246.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-aminocyclopropyl)methyl]phenyl]-N-ethylpropanamide is sourced from PubChem (CID 115056245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).