N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide

C16H24N2O2 — CID 43276998

IUPACN-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1ccc(OC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-10-17-11-13-4-8-15(9-5-13)20-12(2)16(19)18-14-6-7-14/h4-5,8-9,12,14,17H,3,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeyFYVGWALQFKJRIN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.23
Rot. Bonds8

About N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide

N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide (PubChem CID 43276998) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide
PubChem CID43276998
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1ccc(OC(C)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-10-17-11-13-4-8-15(9-5-13)20-12(2)16(19)18-14-6-7-14/h4-5,8-9,12,14,17H,3,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeyFYVGWALQFKJRIN-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide 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
2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide
CID 43277091
N-cyclopropyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79782291
2-[4-(3-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 43116380
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
N-(4-methylcyclohexyl)-2-(4-methylphenoxy)propanamide
CID 42889091
2-(4-methoxyphenoxy)-N-(4-methylcyclohexyl)propanamide
CID 51326792
N-cyclopentyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495986
2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 18106450
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]oxybenzamide
CID 7931426
N-cyclopropyl-2-(4-methylsulfanylphenoxy)propanamide
CID 78760023

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide (CID 43276998) is N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide is CCCNCc1ccc(OC(C)C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide?
The InChIKey is FYVGWALQFKJRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-10-17-11-13-4-8-15(9-5-13)20-12(2)16(19)18-14-6-7-14/h4-5,8-9,12,14,17H,3,6-7,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide?
N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(propylaminomethyl)phenoxy]propanamide is sourced from PubChem (CID 43276998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).