N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide

C16H22N2O3 — CID 9172199

IUPACN-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCCOCC(=O)c1ccc(NC(=O)CN2CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-21-12-15(19)13-5-7-14(8-6-13)17-16(20)11-18-9-3-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,17,20)
InChIKeyMPFRDZJOYFWXIQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.94
Rot. Bonds7

About N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide

N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 9172199) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID9172199
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESCCOCC(=O)c1ccc(NC(=O)CN2CCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-21-12-15(19)13-5-7-14(8-6-13)17-16(20)11-18-9-3-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,17,20)
InChIKeyMPFRDZJOYFWXIQ-UHFFFAOYSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
CID 858395
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-ethoxyacetate
CID 8709346
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 8932201
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704274
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide (CID 9172199) is N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide is CCOCC(=O)c1ccc(NC(=O)CN2CCCC2)cc1.
What is the InChIKey of N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is MPFRDZJOYFWXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-12-15(19)13-5-7-14(8-6-13)17-16(20)11-18-9-3-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,17,20).
What are the key properties of N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide?
N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 290.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyacetyl)phenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 9172199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).