N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide

C17H27N3O2 — CID 119921645

IUPACN-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCN(CC(=O)NCCOc1ccccc1)C1CCNC1
InChIInChI=1S/C17H27N3O2/c1-2-11-20(15-8-9-18-13-15)14-17(21)19-10-12-22-16-6-4-3-5-7-16/h3-7,15,18H,2,8-14H2,1H3,(H,19,21)
InChIKeyPMDRSBNZIOMWKX-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.26
Rot. Bonds9

About N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide

N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 119921645) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID119921645
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCN(CC(=O)NCCOc1ccccc1)C1CCNC1
InChIInChI=1S/C17H27N3O2/c1-2-11-20(15-8-9-18-13-15)14-17(21)19-10-12-22-16-6-4-3-5-7-16/h3-7,15,18H,2,8-14H2,1H3,(H,19,21)
InChIKeyPMDRSBNZIOMWKX-UHFFFAOYSA-N
XLogP1.26
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921724
N-[(4-fluorophenyl)methyl]-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304113
N-(2-phenoxyethyl)-N-propylpiperidin-4-amine
CID 60807688
N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63301073
2-[propyl(pyrrolidin-3-yl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119921790
N-(2-methoxyethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304558
N-(3-methoxypropyl)-2-[piperidin-3-yl(propyl)amino]acetamide
CID 63637518
N-(4-methoxyphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921557
N-ethyl-N-phenyl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921389
N-methyl-N-phenyl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921695
N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921772
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921606

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide (CID 119921645) is N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide is CCCN(CC(=O)NCCOc1ccccc1)C1CCNC1.
What is the InChIKey of N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is PMDRSBNZIOMWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-11-20(15-8-9-18-13-15)14-17(21)19-10-12-22-16-6-4-3-5-7-16/h3-7,15,18H,2,8-14H2,1H3,(H,19,21).
What are the key properties of N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 119921645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).