N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide

C21H26N4O2 — CID 119878082

IUPACN-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide
SMILESNC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C21H26N4O2/c22-20(26)15-25(14-16-6-2-1-3-7-16)19-10-4-8-18(12-19)24-21(27)13-17-9-5-11-23-17/h1-4,6-8,10,12,17,23H,5,9,11,13-15H2,(H2,22,26)(H,24,27)
InChIKeyLHFJILGAZSUBPD-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.26
Rot. Bonds8

About N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide

N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119878082) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119878082
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide
SMILESNC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C21H26N4O2/c22-20(26)15-25(14-16-6-2-1-3-7-16)19-10-4-8-18(12-19)24-21(27)13-17-9-5-11-23-17/h1-4,6-8,10,12,17,23H,5,9,11,13-15H2,(H2,22,26)(H,24,27)
InChIKeyLHFJILGAZSUBPD-UHFFFAOYSA-N
XLogP2.26
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
2-pyrrolidin-2-yl-N-[3-(3,3,3-trifluoropropyl)phenyl]acetamide;hydrochloride
CID 119819406
N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783040
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61366397
N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-1,4-dithiane-2-carboxamide
CID 155946084
N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119723072
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide (CID 119878082) is N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide is NC(=O)CN(Cc1ccccc1)c1cccc(NC(=O)CC2CCCN2)c1.
What is the InChIKey of N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is LHFJILGAZSUBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-20(26)15-25(14-16-6-2-1-3-7-16)19-10-4-8-18(12-19)24-21(27)13-17-9-5-11-23-17/h1-4,6-8,10,12,17,23H,5,9,11,13-15H2,(H2,22,26)(H,24,27).
What are the key properties of N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide?
N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 366.47 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-oxoethyl)-benzylamino]phenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119878082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).