3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide

C16H24N2O4 — CID 21019528

IUPAC3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide
SMILESCCCCc1cc(OCCC(N)=O)cc(OCCC(N)=O)c1
InChIInChI=1S/C16H24N2O4/c1-2-3-4-12-9-13(21-7-5-15(17)19)11-14(10-12)22-8-6-16(18)20/h9-11H,2-8H2,1H3,(H2,17,19)(H2,18,20)
InChIKeyGUNSMPGBPNLNQL-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.54
Rot. Bonds11

About 3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide

3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide (PubChem CID 21019528) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide.

Molecular Properties

Compound Name3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide
PubChem CID21019528
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide
SMILESCCCCc1cc(OCCC(N)=O)cc(OCCC(N)=O)c1
InChIInChI=1S/C16H24N2O4/c1-2-3-4-12-9-13(21-7-5-15(17)19)11-14(10-12)22-8-6-16(18)20/h9-11H,2-8H2,1H3,(H2,17,19)(H2,18,20)
InChIKeyGUNSMPGBPNLNQL-UHFFFAOYSA-N
XLogP1.54
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]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

1-butyl-3,5-di(octacosoxy)benzene
CID 91381222
1-butyl-3,5-diheptoxybenzene
CID 91325989
1-butyl-3,5-di(undecoxy)benzene
CID 173166651
4-(3-pentadecylphenoxy)butanamide
CID 22354511
(3-butoxy-5-butylphenyl)methanol
CID 118269486
ethyl 3-(4-butylphenoxy)propanoate
CID 115492144
3-(4-bromo-3,5-dimethylphenoxy)propanamide
CID 107723524
3,5-di(pentadecoxy)benzamide
CID 69275649
5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide
CID 90738357
4-(3-ethylphenoxy)butanamide
CID 82040637
1,3,5-tributoxybenzene
CID 15933337
1-butyl-3,5-dimethoxybenzene
CID 524875

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide?
The IUPAC name of 3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide (CID 21019528) is 3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide.
What is the SMILES notation for 3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide?
The canonical SMILES for 3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide is CCCCc1cc(OCCC(N)=O)cc(OCCC(N)=O)c1.
What is the InChIKey of 3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide?
The InChIKey is GUNSMPGBPNLNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-2-3-4-12-9-13(21-7-5-15(17)19)11-14(10-12)22-8-6-16(18)20/h9-11H,2-8H2,1H3,(H2,17,19)(H2,18,20).
What are the key properties of 3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide?
3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide has a molecular weight of 308.38 g/mol, XLogP of 1.54, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-amino-3-oxopropoxy)-5-butylphenoxy]propanamide is sourced from PubChem (CID 21019528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).