2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide

C23H30N2O3 — CID 123697575

IUPAC2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)c1ccc(OC2CCN(c3ccc(OCC)cc3)C2)cc1
InChIInChI=1S/C23H30N2O3/c1-4-24-23(26)17(3)18-6-10-21(11-7-18)28-22-14-15-25(16-22)19-8-12-20(13-9-19)27-5-2/h6-13,17,22H,4-5,14-16H2,1-3H3,(H,24,26)
InChIKeyNQLYCSYWZAMQIH-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.98
Rot. Bonds8

About 2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide

2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide (PubChem CID 123697575) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
PubChem CID123697575
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)c1ccc(OC2CCN(c3ccc(OCC)cc3)C2)cc1
InChIInChI=1S/C23H30N2O3/c1-4-24-23(26)17(3)18-6-10-21(11-7-18)28-22-14-15-25(16-22)19-8-12-20(13-9-19)27-5-2/h6-13,17,22H,4-5,14-16H2,1-3H3,(H,24,26)
InChIKeyNQLYCSYWZAMQIH-UHFFFAOYSA-N
XLogP3.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
CID 123251215
N-[1-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123377438
2-[4-[1-(4-cyclobutyloxyphenyl)piperidin-4-yl]phenyl]-N-ethylpropanamide
CID 71576220
2-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]hexan-3-one
CID 147675125
N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide
CID 123175633
methyl N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]carbamate
CID 78136916
2-[4-[1-(4-ethoxyphenyl)piperidin-4-yl]phenyl]-N-phenylpropanamide
CID 71566718
N-[(1S)-1-[4-[1-[4-(3-fluoropropoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473437
N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-fluoroacetamide
CID 123494254
N-[1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-3-methoxycyclobutane-1-carboxamide
CID 123286247
propan-2-yl 1-(4-ethoxyphenyl)pyrrolidine-3-carboxylate
CID 83982034
(4R)-4-[4-[(3R)-1-(5-ethoxypyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]pentan-2-one
CID 158443898

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide?
The IUPAC name of 2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide (CID 123697575) is 2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide.
What is the SMILES notation for 2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide?
The canonical SMILES for 2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide is CCNC(=O)C(C)c1ccc(OC2CCN(c3ccc(OCC)cc3)C2)cc1.
What is the InChIKey of 2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide?
The InChIKey is NQLYCSYWZAMQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-24-23(26)17(3)18-6-10-21(11-7-18)28-22-14-15-25(16-22)19-8-12-20(13-9-19)27-5-2/h6-13,17,22H,4-5,14-16H2,1-3H3,(H,24,26).
What are the key properties of 2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide?
2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide has a molecular weight of 382.50 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide is sourced from PubChem (CID 123697575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).