N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide

C22H27N3O2 — CID 119717935

IUPACN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)CC2CCCN2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-2-25(20-8-4-3-5-9-20)22(27)15-17-10-12-18(13-11-17)24-21(26)16-19-7-6-14-23-19/h3-5,8-13,19,23H,2,6-7,14-16H2,1H3,(H,24,26)
InChIKeyZLEPHWKHXZTDTF-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.36
Rot. Bonds7

About N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119717935) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119717935
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)CC2CCCN2)cc1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-2-25(20-8-4-3-5-9-20)22(27)15-17-10-12-18(13-11-17)24-21(26)16-19-7-6-14-23-19/h3-5,8-13,19,23H,2,6-7,14-16H2,1H3,(H,24,26)
InChIKeyZLEPHWKHXZTDTF-UHFFFAOYSA-N
XLogP3.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041
2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
CID 61366052
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide
CID 119286338
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 55817357
N-(4-pentylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363717
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119756453
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61365999
N-(2-anilino-2-oxoethyl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364850
1-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717908
3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119717914

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide (CID 119717935) is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide is CCN(C(=O)Cc1ccc(NC(=O)CC2CCCN2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is ZLEPHWKHXZTDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-25(20-8-4-3-5-9-20)22(27)15-17-10-12-18(13-11-17)24-21(26)16-19-7-6-14-23-19/h3-5,8-13,19,23H,2,6-7,14-16H2,1H3,(H,24,26).
What are the key properties of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide?
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 365.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119717935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).