3-[2-(2-aminobutyl)phenoxy]propanamide

C13H20N2O2 — CID 60907585

IUPAC3-[2-(2-aminobutyl)phenoxy]propanamide
SMILESCCC(N)Cc1ccccc1OCCC(N)=O
InChIInChI=1S/C13H20N2O2/c1-2-11(14)9-10-5-3-4-6-12(10)17-8-7-13(15)16/h3-6,11H,2,7-9,14H2,1H3,(H2,15,16)
InChIKeyMYMGKWDPBSPSSJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.22
Rot. Bonds7

About 3-[2-(2-aminobutyl)phenoxy]propanamide

3-[2-(2-aminobutyl)phenoxy]propanamide (PubChem CID 60907585) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[2-(2-aminobutyl)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-(2-aminobutyl)phenoxy]propanamide
PubChem CID60907585
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[2-(2-aminobutyl)phenoxy]propanamide
SMILESCCC(N)Cc1ccccc1OCCC(N)=O
InChIInChI=1S/C13H20N2O2/c1-2-11(14)9-10-5-3-4-6-12(10)17-8-7-13(15)16/h3-6,11H,2,7-9,14H2,1H3,(H2,15,16)
InChIKeyMYMGKWDPBSPSSJ-UHFFFAOYSA-N
XLogP1.22
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(2-aminobutyl)phenoxy]acetate
CID 54930626
4-(2-ethylphenoxy)butanamide
CID 82040636
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
3-(2-aminophenoxy)propanamide
CID 39869131
3-[5-(2-aminobutyl)-2-methoxyphenoxy]propanamide
CID 60907156
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634
2-[2-(2-aminobutyl)phenoxy]butanoic acid
CID 64661989
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
1-[2-(2,3-dichloroprop-2-enoxy)phenyl]butan-2-amine
CID 79174196
2-[(2R)-2-aminobutyl]benzamide
CID 96928036
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60908081

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminobutyl)phenoxy]propanamide?
The IUPAC name of 3-[2-(2-aminobutyl)phenoxy]propanamide (CID 60907585) is 3-[2-(2-aminobutyl)phenoxy]propanamide.
What is the SMILES notation for 3-[2-(2-aminobutyl)phenoxy]propanamide?
The canonical SMILES for 3-[2-(2-aminobutyl)phenoxy]propanamide is CCC(N)Cc1ccccc1OCCC(N)=O.
What is the InChIKey of 3-[2-(2-aminobutyl)phenoxy]propanamide?
The InChIKey is MYMGKWDPBSPSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-11(14)9-10-5-3-4-6-12(10)17-8-7-13(15)16/h3-6,11H,2,7-9,14H2,1H3,(H2,15,16).
What are the key properties of 3-[2-(2-aminobutyl)phenoxy]propanamide?
3-[2-(2-aminobutyl)phenoxy]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminobutyl)phenoxy]propanamide is sourced from PubChem (CID 60907585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).