N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide

C21H28N2O3 — CID 134018677

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C21H28N2O3/c1-17-8-2-3-9-19(17)25-15-7-11-21(24)22-16-18(20-10-6-14-26-20)23-12-4-5-13-23/h2-3,6,8-10,14,18H,4-5,7,11-13,15-16H2,1H3,(H,22,24)
InChIKeyDMLRYRNJVIWPKD-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.70
Rot. Bonds9

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide (PubChem CID 134018677) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide
PubChem CID134018677
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide
SMILESCc1ccccc1OCCCC(=O)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C21H28N2O3/c1-17-8-2-3-9-19(17)25-15-7-11-21(24)22-16-18(20-10-6-14-26-20)23-12-4-5-13-23/h2-3,6,8-10,14,18H,4-5,7,11-13,15-16H2,1H3,(H,22,24)
InChIKeyDMLRYRNJVIWPKD-UHFFFAOYSA-N
XLogP3.70
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 51952483
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
CID 51162656
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55204450
2-(2,3-dimethylphenoxy)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 23607196
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide
CID 55928920
N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide
CID 112503523
2-(2-chlorophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 41111766
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide
CID 2468270

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide (CID 134018677) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide is Cc1ccccc1OCCCC(=O)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide?
The InChIKey is DMLRYRNJVIWPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-17-8-2-3-9-19(17)25-15-7-11-21(24)22-16-18(20-10-6-14-26-20)23-12-4-5-13-23/h2-3,6,8-10,14,18H,4-5,7,11-13,15-16H2,1H3,(H,22,24).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide has a molecular weight of 356.47 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 134018677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).