2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide

C16H26N2O3 — CID 43471966

IUPAC2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(CNCC)cccc1OC
InChIInChI=1S/C16H26N2O3/c1-5-10-18-16(19)12(3)21-15-13(11-17-6-2)8-7-9-14(15)20-4/h7-9,12,17H,5-6,10-11H2,1-4H3,(H,18,19)
InChIKeyPCLQTMFLWVZNFV-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.10
Rot. Bonds9

About 2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide

2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide (PubChem CID 43471966) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
PubChem CID43471966
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Oc1c(CNCC)cccc1OC
InChIInChI=1S/C16H26N2O3/c1-5-10-18-16(19)12(3)21-15-13(11-17-6-2)8-7-9-14(15)20-4/h7-9,12,17H,5-6,10-11H2,1-4H3,(H,18,19)
InChIKeyPCLQTMFLWVZNFV-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide
CID 43471524
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43388382
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-N-propylacetamide
CID 43406329
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide
CID 60904970
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-butylpropanamide
CID 61390210
N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]butan-1-amine
CID 39355523
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide
CID 43471430
2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide?
The IUPAC name of 2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide (CID 43471966) is 2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide?
The canonical SMILES for 2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide is CCCNC(=O)C(C)Oc1c(CNCC)cccc1OC.
What is the InChIKey of 2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide?
The InChIKey is PCLQTMFLWVZNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-10-18-16(19)12(3)21-15-13(11-17-6-2)8-7-9-14(15)20-4/h7-9,12,17H,5-6,10-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide?
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide has a molecular weight of 294.39 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide is sourced from PubChem (CID 43471966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).