N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide

C13H20N2O3 — CID 94690716

IUPACN-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCCN)c1
InChIInChI=1S/C13H20N2O3/c1-17-11-4-5-12(18-2)10(9-11)3-6-13(16)15-8-7-14/h4-5,9H,3,6-8,14H2,1-2H3,(H,15,16)
InChIKeyPXCAHCYBFWLWNX-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.71
Rot. Bonds7

About N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide

N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide (PubChem CID 94690716) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
PubChem CID94690716
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(CCC(=O)NCCN)c1
InChIInChI=1S/C13H20N2O3/c1-17-11-4-5-12(18-2)10(9-11)3-6-13(16)15-8-7-14/h4-5,9H,3,6-8,14H2,1-2H3,(H,15,16)
InChIKeyPXCAHCYBFWLWNX-UHFFFAOYSA-N
XLogP0.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
N-(2-amino-2-ethylbutyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 119639750
3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 38501975
4-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-3-methoxybutanamide
CID 120587964
N-[2-[3-(2,5-dimethoxyphenyl)propanoylamino]ethyl]-1-methylpyrrole-2-carboxamide
CID 25495501
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119
3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650953
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
3-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide (CID 94690716) is N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(CCC(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is PXCAHCYBFWLWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-17-11-4-5-12(18-2)10(9-11)3-6-13(16)15-8-7-14/h4-5,9H,3,6-8,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide?
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 252.31 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 94690716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).