N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide

C17H26N2O2 — CID 119731795

IUPACN-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCCOCCc1ccccc1)C1CCNC1
InChIInChI=1S/C17H26N2O2/c20-17(16-8-11-18-14-16)19-10-4-5-12-21-13-9-15-6-2-1-3-7-15/h1-3,6-7,16,18H,4-5,8-14H2,(H,19,20)
InChIKeyWEAMJHBJGYRLAA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.75
Rot. Bonds9

About N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide

N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide (PubChem CID 119731795) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide
PubChem CID119731795
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCCCOCCc1ccccc1)C1CCNC1
InChIInChI=1S/C17H26N2O2/c20-17(16-8-11-18-14-16)19-10-4-5-12-21-13-9-15-6-2-1-3-7-15/h1-3,6-7,16,18H,4-5,8-14H2,(H,19,20)
InChIKeyWEAMJHBJGYRLAA-UHFFFAOYSA-N
XLogP1.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-(3-anilinopropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119867816
benzyl 3-[[(3R)-pyrrolidine-3-carbonyl]amino]propanoate
CID 54157501
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
N-(2-phenylmethoxyethyl)piperidine-4-carboxamide
CID 89441554
N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119862283
2-[3-(2-phenylethoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119181917
N-[6-(2-phenylethoxy)hexyl]acetamide
CID 67657412
N-[3-(N-methylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005380
N-[2-(4-butoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714749
N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-3-carboxamide
CID 119874721
N-[2-[[N-ethyl-N'-[4-(2-phenylethoxy)butyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111926996

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide (CID 119731795) is N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide is O=C(NCCCCOCCc1ccccc1)C1CCNC1.
What is the InChIKey of N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide?
The InChIKey is WEAMJHBJGYRLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-17(16-8-11-18-14-16)19-10-4-5-12-21-13-9-15-6-2-1-3-7-15/h1-3,6-7,16,18H,4-5,8-14H2,(H,19,20).
What are the key properties of N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide?
N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenylethoxy)butyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119731795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).