2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide

C16H26N2O3 — CID 43574152

IUPAC2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-6-13(18-11(3)16(19)17-7-2)12-8-9-14(20-4)15(10-12)21-5/h8-11,13,18H,6-7H2,1-5H3,(H,17,19)
InChIKeyXIURFZANMZENJP-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.27
Rot. Bonds8

About 2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide

2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide (PubChem CID 43574152) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide
PubChem CID43574152
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NC(CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-6-13(18-11(3)16(19)17-7-2)12-8-9-14(20-4)15(10-12)21-5/h8-11,13,18H,6-7H2,1-5H3,(H,17,19)
InChIKeyXIURFZANMZENJP-UHFFFAOYSA-N
XLogP2.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propanamide
CID 43503787
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide
CID 61066639
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300926
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
3-(2-acetamidopropanoylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 119167083
2-[1-(3,4-dimethoxyphenyl)ethylamino]propanoic acid
CID 54959912
N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide
CID 14816122
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine
CID 115725643

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide (CID 43574152) is 2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide is CCNC(=O)C(C)NC(CC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide?
The InChIKey is XIURFZANMZENJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-13(18-11(3)16(19)17-7-2)12-8-9-14(20-4)15(10-12)21-5/h8-11,13,18H,6-7H2,1-5H3,(H,17,19).
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide?
2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide is sourced from PubChem (CID 43574152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).