3-[4-(propylaminomethyl)phenoxy]propanamide

C13H20N2O2 — CID 43276993

IUPAC3-[4-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-2-8-15-10-11-3-5-12(6-4-11)17-9-7-13(14)16/h3-6,15H,2,7-10H2,1H3,(H2,14,16)
InChIKeyDDOTUVKXFINPLE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.44
Rot. Bonds8

About 3-[4-(propylaminomethyl)phenoxy]propanamide

3-[4-(propylaminomethyl)phenoxy]propanamide (PubChem CID 43276993) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[4-(propylaminomethyl)phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-(propylaminomethyl)phenoxy]propanamide
PubChem CID43276993
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[4-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c1-2-8-15-10-11-3-5-12(6-4-11)17-9-7-13(14)16/h3-6,15H,2,7-10H2,1H3,(H2,14,16)
InChIKeyDDOTUVKXFINPLE-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-butoxyphenyl)methylamino]pentanamide
CID 106233532
3-[(4-pentoxyphenyl)methylamino]propanamide
CID 43553209
4-[(4-ethoxyphenyl)methylamino]butanamide
CID 60863018
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
ethyl 6-[4-(propylaminomethyl)phenoxy]hexanoate
CID 70696698
2-methyl-3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43311872
N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64553735
[4-(propylaminomethyl)phenyl]methyl carbamate
CID 175323121
N-[[4-[2-(3-methylbut-3-enoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 114470830
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide
CID 43401621
N'-[(4-pentoxyphenyl)methyl]ethane-1,2-diamine
CID 60887585
N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine
CID 62452923

Frequently Asked Questions

What is the IUPAC name of 3-[4-(propylaminomethyl)phenoxy]propanamide?
The IUPAC name of 3-[4-(propylaminomethyl)phenoxy]propanamide (CID 43276993) is 3-[4-(propylaminomethyl)phenoxy]propanamide.
What is the SMILES notation for 3-[4-(propylaminomethyl)phenoxy]propanamide?
The canonical SMILES for 3-[4-(propylaminomethyl)phenoxy]propanamide is CCCNCc1ccc(OCCC(N)=O)cc1.
What is the InChIKey of 3-[4-(propylaminomethyl)phenoxy]propanamide?
The InChIKey is DDOTUVKXFINPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-8-15-10-11-3-5-12(6-4-11)17-9-7-13(14)16/h3-6,15H,2,7-10H2,1H3,(H2,14,16).
What are the key properties of 3-[4-(propylaminomethyl)phenoxy]propanamide?
3-[4-(propylaminomethyl)phenoxy]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(propylaminomethyl)phenoxy]propanamide is sourced from PubChem (CID 43276993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).