2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide

C14H21N3O2 — CID 79473484

IUPAC2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide
SMILESNCCOCC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C14H21N3O2/c15-6-9-19-11-14(18)16-12-4-3-5-13(10-12)17-7-1-2-8-17/h3-5,10H,1-2,6-9,11,15H2,(H,16,18)
InChIKeyXVURBAMTJNSBAM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.20
Rot. Bonds6

About 2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide

2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 79473484) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide
PubChem CID79473484
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide
SMILESNCCOCC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C14H21N3O2/c15-6-9-19-11-14(18)16-12-4-3-5-13(10-12)17-7-1-2-8-17/h3-5,10H,1-2,6-9,11,15H2,(H,16,18)
InChIKeyXVURBAMTJNSBAM-UHFFFAOYSA-N
XLogP1.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 79473221
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate
CID 79345921
2-(2-aminoethoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 79473039
7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
CID 79473101
3-[[2-(2-aminoethoxy)acetyl]amino]benzamide
CID 79479318
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide (CID 79473484) is 2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide is NCCOCC(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is XVURBAMTJNSBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-6-9-19-11-14(18)16-12-4-3-5-13(10-12)17-7-1-2-8-17/h3-5,10H,1-2,6-9,11,15H2,(H,16,18).
What are the key properties of 2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide?
2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 79473484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).