N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide

C27H37N3O5 — CID 139965418

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide
SMILESNCCOCCOCCNC(=O)CC1CCCN1C(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H37N3O5/c28-12-15-33-17-18-34-16-13-29-26(31)20-24-7-4-14-30(24)27(32)19-22-8-10-25(11-9-22)35-21-23-5-2-1-3-6-23/h1-3,5-6,8-11,24H,4,7,12-21,28H2,(H,29,31)
InChIKeyCTJFEPHZOYQCLA-UHFFFAOYSA-N
MW483.61 g/mol
LogP2.30
Rot. Bonds15

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide (PubChem CID 139965418) has the molecular formula C27H37N3O5 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide
PubChem CID139965418
Molecular FormulaC27H37N3O5
Molecular Weight483.61 g/mol
Exact Mass483.27
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide
SMILESNCCOCCOCCNC(=O)CC1CCCN1C(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C27H37N3O5/c28-12-15-33-17-18-34-16-13-29-26(31)20-24-7-4-14-30(24)27(32)19-22-8-10-25(11-9-22)35-21-23-5-2-1-3-6-23/h1-3,5-6,8-11,24H,4,7,12-21,28H2,(H,29,31)
InChIKeyCTJFEPHZOYQCLA-UHFFFAOYSA-N
XLogP2.30
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[3-[2-(4-phenylmethoxyphenyl)acetyl]-1,3-thiazolidin-4-yl]acetamide
CID 139965376
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]pyrrolidin-2-yl]acetamide
CID 139965406
N-hydroxy-2-[1-[2-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetyl]pyrrolidin-2-yl]acetamide
CID 10181303
2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79473851
N-[2-(2-aminoethoxy)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 82354234
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 119631388
2-(4-ethoxyphenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61408770
benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162341693
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119632417
N-(5-aminopentyl)-2-[2-(4-phenylmethoxyphenyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10277828
N-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 99609425
N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine
CID 171349576

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide (CID 139965418) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide is NCCOCCOCCNC(=O)CC1CCCN1C(=O)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide?
The InChIKey is CTJFEPHZOYQCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O5/c28-12-15-33-17-18-34-16-13-29-26(31)20-24-7-4-14-30(24)27(32)19-22-8-10-25(11-9-22)35-21-23-5-2-1-3-6-23/h1-3,5-6,8-11,24H,4,7,12-21,28H2,(H,29,31).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide has a molecular weight of 483.61 g/mol, XLogP of 2.30, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[1-[2-(4-phenylmethoxyphenyl)acetyl]pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 139965418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).