N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide

C17H27N3O — CID 63299311

IUPACN-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(CC)C1CCNC1
InChIInChI=1S/C17H27N3O/c1-4-14-8-6-7-13(3)17(14)19-16(21)12-20(5-2)15-9-10-18-11-15/h6-8,15,18H,4-5,9-12H2,1-3H3,(H,19,21)
InChIKeyLJPLBPKSVJKYQL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.18
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide

N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63299311) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63299311
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(CC)C1CCNC1
InChIInChI=1S/C17H27N3O/c1-4-14-8-6-7-13(3)17(14)19-16(21)12-20(5-2)15-9-10-18-11-15/h6-8,15,18H,4-5,9-12H2,1-3H3,(H,19,21)
InChIKeyLJPLBPKSVJKYQL-UHFFFAOYSA-N
XLogP2.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(piperidin-4-yl)amino]-N-(2-methylphenyl)acetamide
CID 60805607
N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299906
N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299902
2-[acetyl(cyclohexyl)amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113159510
N-(2-ethyl-6-methylphenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626374
N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300131
N-(2-ethyl-6-methylphenyl)-2-[(4-hydroxy-1,1-dioxothiolan-3-yl)-(2-hydroxyethyl)amino]acetamide
CID 164663251
2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 60807142
N-(4-bromo-3-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63636963
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 110892083
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
2-[ethyl(piperidin-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 63637467

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide (CID 63299311) is N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide is CCc1cccc(C)c1NC(=O)CN(CC)C1CCNC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is LJPLBPKSVJKYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-14-8-6-7-13(3)17(14)19-16(21)12-20(5-2)15-9-10-18-11-15/h6-8,15,18H,4-5,9-12H2,1-3H3,(H,19,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63299311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).