3-(2-methoxyphenyl)pentanediamide

C12H16N2O3 — CID 20546356

IUPAC3-(2-methoxyphenyl)pentanediamide
SMILESCOc1ccccc1C(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H16N2O3/c1-17-10-5-3-2-4-9(10)8(6-11(13)15)7-12(14)16/h2-5,8H,6-7H2,1H3,(H2,13,15)(H2,14,16)
InChIKeyYDFBMLHXBSMXMP-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.53
Rot. Bonds6

About 3-(2-methoxyphenyl)pentanediamide

3-(2-methoxyphenyl)pentanediamide (PubChem CID 20546356) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)pentanediamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)pentanediamide
PubChem CID20546356
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-(2-methoxyphenyl)pentanediamide
SMILESCOc1ccccc1C(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H16N2O3/c1-17-10-5-3-2-4-9(10)8(6-11(13)15)7-12(14)16/h2-5,8H,6-7H2,1H3,(H2,13,15)(H2,14,16)
InChIKeyYDFBMLHXBSMXMP-UHFFFAOYSA-N
XLogP0.53
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-methoxyphenyl)pentanediamide 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

2-amino-N-[1-(2-methoxyphenyl)ethyl]butanediamide;hydrochloride
CID 119955956
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 904780
[5-acetyloxy-3-(2-methoxyphenyl)pentyl] acetate
CID 51050664
3-(2-chlorophenyl)pentanediamide
CID 13034531
3-(2-iodophenyl)pentanediamide
CID 20546578
3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide
CID 171899043
tert-butyl 4-amino-3-(2-methoxyphenyl)butanoate
CID 142451328
3-(2-methoxyphenyl)pentane-1,5-diol
CID 51050570
(3R)-3-(2-methoxyphenyl)hex-5-enoic acid
CID 10822802
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)pentanediamide?
The IUPAC name of 3-(2-methoxyphenyl)pentanediamide (CID 20546356) is 3-(2-methoxyphenyl)pentanediamide.
What is the SMILES notation for 3-(2-methoxyphenyl)pentanediamide?
The canonical SMILES for 3-(2-methoxyphenyl)pentanediamide is COc1ccccc1C(CC(N)=O)CC(N)=O.
What is the InChIKey of 3-(2-methoxyphenyl)pentanediamide?
The InChIKey is YDFBMLHXBSMXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-10-5-3-2-4-9(10)8(6-11(13)15)7-12(14)16/h2-5,8H,6-7H2,1H3,(H2,13,15)(H2,14,16).
What are the key properties of 3-(2-methoxyphenyl)pentanediamide?
3-(2-methoxyphenyl)pentanediamide has a molecular weight of 236.27 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)pentanediamide is sourced from PubChem (CID 20546356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).