3-(3-ethoxyphenyl)pentanediamide

C13H18N2O3 — CID 20546636

IUPAC3-(3-ethoxyphenyl)pentanediamide
SMILESCCOc1cccc(C(CC(N)=O)CC(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-2-18-11-5-3-4-9(6-11)10(7-12(14)16)8-13(15)17/h3-6,10H,2,7-8H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyDYCVBDUWSQGZRF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.92
Rot. Bonds7

About 3-(3-ethoxyphenyl)pentanediamide

3-(3-ethoxyphenyl)pentanediamide (PubChem CID 20546636) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)pentanediamide.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)pentanediamide
PubChem CID20546636
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-(3-ethoxyphenyl)pentanediamide
SMILESCCOc1cccc(C(CC(N)=O)CC(N)=O)c1
InChIInChI=1S/C13H18N2O3/c1-2-18-11-5-3-4-9(6-11)10(7-12(14)16)8-13(15)17/h3-6,10H,2,7-8H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyDYCVBDUWSQGZRF-UHFFFAOYSA-N
XLogP0.92
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide
CID 171868100
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65236327
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
CID 171248203
methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
methyl 2-(3-ethoxyphenyl)-3-oxobutanoate
CID 112512277
2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid
CID 66204925
3-amino-3-(3-ethoxyphenyl)-N-ethylpropanamide
CID 112508347
methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65235293
2-(3-ethoxyphenyl)-4-oxopentanenitrile
CID 175669256

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)pentanediamide?
The IUPAC name of 3-(3-ethoxyphenyl)pentanediamide (CID 20546636) is 3-(3-ethoxyphenyl)pentanediamide.
What is the SMILES notation for 3-(3-ethoxyphenyl)pentanediamide?
The canonical SMILES for 3-(3-ethoxyphenyl)pentanediamide is CCOc1cccc(C(CC(N)=O)CC(N)=O)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)pentanediamide?
The InChIKey is DYCVBDUWSQGZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-11-5-3-4-9(6-11)10(7-12(14)16)8-13(15)17/h3-6,10H,2,7-8H2,1H3,(H2,14,16)(H2,15,17).
What are the key properties of 3-(3-ethoxyphenyl)pentanediamide?
3-(3-ethoxyphenyl)pentanediamide has a molecular weight of 250.30 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)pentanediamide is sourced from PubChem (CID 20546636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).