N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide

C18H28N2O2 — CID 119534432

IUPACN-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OCCC(=O)NCCC2CCNC2)c1
InChIInChI=1S/C18H28N2O2/c1-13-10-14(2)15(3)17(11-13)22-9-6-18(21)20-8-5-16-4-7-19-12-16/h10-11,16,19H,4-9,12H2,1-3H3,(H,20,21)
InChIKeySPPJQHLENSFZEH-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.50
Rot. Bonds7

About N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide

N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 119534432) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide
PubChem CID119534432
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OCCC(=O)NCCC2CCNC2)c1
InChIInChI=1S/C18H28N2O2/c1-13-10-14(2)15(3)17(11-13)22-9-6-18(21)20-8-5-16-4-7-19-12-16/h10-11,16,19H,4-9,12H2,1-3H3,(H,20,21)
InChIKeySPPJQHLENSFZEH-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide;hydrochloride
CID 119555968
3-(2,4-dimethylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534079
4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119538281
3-methoxy-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 63630087
N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119405735
2-(2,5-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557918
N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120597993
2-(2,4-dimethylphenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557950
3-(2,3,5-trimethylphenoxy)propanehydrazide
CID 63575558
4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534000
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
N-(2-methylpiperidin-3-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120573443

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide (CID 119534432) is N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(OCCC(=O)NCCC2CCNC2)c1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is SPPJQHLENSFZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-10-14(2)15(3)17(11-13)22-9-6-18(21)20-8-5-16-4-7-19-12-16/h10-11,16,19H,4-9,12H2,1-3H3,(H,20,21).
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide?
N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 119534432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).