3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide

C16H26N2O3 — CID 120650953

IUPAC3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCc1cc(OC)ccc1OC
InChIInChI=1S/C16H26N2O3/c1-5-17-12(2)11-18-16(19)9-6-13-10-14(20-3)7-8-15(13)21-4/h7-8,10,12,17H,5-6,9,11H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyUGCKCYAPMRJMGO-GFCCVEGCSA-N
MW294.39 g/mol
LogP1.75
Rot. Bonds9

About 3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide

3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide (PubChem CID 120650953) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
PubChem CID120650953
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCc1cc(OC)ccc1OC
InChIInChI=1S/C16H26N2O3/c1-5-17-12(2)11-18-16(19)9-6-13-10-14(20-3)7-8-15(13)21-4/h7-8,10,12,17H,5-6,9,11H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyUGCKCYAPMRJMGO-GFCCVEGCSA-N
XLogP1.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-(2-hydroxypropyl)propanamide
CID 78855932
N-[(2R)-2-(ethylamino)propyl]-3-(2-methoxyphenyl)propanamide
CID 120652535
2-[[3-(2,5-dimethoxyphenyl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253559
N-[(2,5-dimethoxyphenyl)methyl]-3-(ethylamino)butanamide
CID 62839774
N-[(2R)-2-(ethylamino)propyl]-2-(2-methoxyphenyl)acetamide
CID 120652529
N-[(2R)-2-(ethylamino)propyl]-4-(4-methoxyphenyl)butanamide
CID 120652211
N-(2-aminoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 94690716
N-(2-acetamidoethyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38004607
3-(2,5-dimethoxyphenyl)-N-(3-methylbutan-2-yl)propanamide
CID 43048906
2-benzyl-3-[3-(2,5-dimethoxyphenyl)propanoylamino]propanoic acid
CID 119233953
3-(2,5-dimethoxyphenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
CID 46539482
N-(2-amino-2-ethylbutyl)-3-(2,5-dimethoxyphenyl)propanamide
CID 119639750

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide (CID 120650953) is 3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide is CCN[C@H](C)CNC(=O)CCc1cc(OC)ccc1OC.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The InChIKey is UGCKCYAPMRJMGO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-17-12(2)11-18-16(19)9-6-13-10-14(20-3)7-8-15(13)21-4/h7-8,10,12,17H,5-6,9,11H2,1-4H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide has a molecular weight of 294.39 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide is sourced from PubChem (CID 120650953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).