N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide

C26H34N4O3 — CID 124726996

IUPACN-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)COc1ccc(CNC(=O)CN2CCC[C@@H]2[C@H]2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C26H34N4O3/c27-25(31)19-33-22-12-10-20(11-13-22)16-28-26(32)18-30-15-5-9-24(30)23-8-4-14-29(23)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,23-24H,4-5,8-9,14-19H2,(H2,27,31)(H,28,32)/t23-,24-/m1/s1
InChIKeyCLVODYMUIWMJCQ-DNQXCXABSA-N
MW450.58 g/mol
LogP2.30
Rot. Bonds10

About N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide

N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 124726996) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide
PubChem CID124726996
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESNC(=O)COc1ccc(CNC(=O)CN2CCC[C@@H]2[C@H]2CCCN2Cc2ccccc2)cc1
InChIInChI=1S/C26H34N4O3/c27-25(31)19-33-22-12-10-20(11-13-22)16-28-26(32)18-30-15-5-9-24(30)23-8-4-14-29(23)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,23-24H,4-5,8-9,14-19H2,(H2,27,31)(H,28,32)/t23-,24-/m1/s1
InChIKeyCLVODYMUIWMJCQ-DNQXCXABSA-N
XLogP2.30
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11930936
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CID 119927076
(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
N-benzyl-2-[4-(1-benzylpyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
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CID 8831232
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N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
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CID 95576076
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CID 110921436
N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 56796707
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide (CID 124726996) is N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide is NC(=O)COc1ccc(CNC(=O)CN2CCC[C@@H]2[C@H]2CCCN2Cc2ccccc2)cc1.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is CLVODYMUIWMJCQ-DNQXCXABSA-N. The full InChI is InChI=1S/C26H34N4O3/c27-25(31)19-33-22-12-10-20(11-13-22)16-28-26(32)18-30-15-5-9-24(30)23-8-4-14-29(23)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,23-24H,4-5,8-9,14-19H2,(H2,27,31)(H,28,32)/t23-,24-/m1/s1.
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide?
N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 450.58 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 124726996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).