2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide

C16H24N2O2 — CID 43116380

IUPAC2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide
SMILESCC(N)CCc1ccc(OC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-11(17)3-4-13-5-9-15(10-6-13)20-12(2)16(19)18-14-7-8-14/h5-6,9-12,14H,3-4,7-8,17H2,1-2H3,(H,18,19)
InChIKeySJZFYBNFSHQIDG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.01
Rot. Bonds7

About 2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide

2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide (PubChem CID 43116380) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide
PubChem CID43116380
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide
SMILESCC(N)CCc1ccc(OC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-11(17)3-4-13-5-9-15(10-6-13)20-12(2)16(19)18-14-7-8-14/h5-6,9-12,14H,3-4,7-8,17H2,1-2H3,(H,18,19)
InChIKeySJZFYBNFSHQIDG-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide 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

N-cyclopropyl-2-(4-ethylphenoxy)propanamide
CID 60625156
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
N-cyclohexyl-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 78767064
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide
CID 7931426
N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide
CID 43276998
N-cyclopentyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495986
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopentylpropanamide
CID 78930256
N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide
CID 78760023
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
N-(4-aminocyclohexyl)-2-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119478209
N-(4-methylcyclohexyl)-2-(4-methylphenoxy)propanamide
CID 42889091
2-(4-methoxyphenoxy)-N-(4-methylcyclohexyl)propanamide
CID 51326792

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide (CID 43116380) is 2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide is CC(N)CCc1ccc(OC(C)C(=O)NC2CC2)cc1.
What is the InChIKey of 2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide?
The InChIKey is SJZFYBNFSHQIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(17)3-4-13-5-9-15(10-6-13)20-12(2)16(19)18-14-7-8-14/h5-6,9-12,14H,3-4,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide?
2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 43116380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).