N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

C25H30F2N2O4 — CID 123166768

IUPACN-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCOc1cc(OCC2CC2(F)F)ccc1N1CCC(Oc2ccc(C(C)NC(C)=O)cc2)C1
InChIInChI=1S/C25H30F2N2O4/c1-16(28-17(2)30)18-4-6-20(7-5-18)33-22-10-11-29(14-22)23-9-8-21(12-24(23)31-3)32-15-19-13-25(19,26)27/h4-9,12,16,19,22H,10-11,13-15H2,1-3H3,(H,28,30)
InChIKeyCMKLBDQBVLUBNH-UHFFFAOYSA-N
MW460.52 g/mol
LogP4.58
Rot. Bonds9

About N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 123166768) has the molecular formula C25H30F2N2O4 and a molecular weight of 460.52 g/mol. Its IUPAC name is N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID123166768
Molecular FormulaC25H30F2N2O4
Molecular Weight460.52 g/mol
Exact Mass460.22
IUPAC NameN-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCOc1cc(OCC2CC2(F)F)ccc1N1CCC(Oc2ccc(C(C)NC(C)=O)cc2)C1
InChIInChI=1S/C25H30F2N2O4/c1-16(28-17(2)30)18-4-6-20(7-5-18)33-22-10-11-29(14-22)23-9-8-21(12-24(23)31-3)32-15-19-13-25(19,26)27/h4-9,12,16,19,22H,10-11,13-15H2,1-3H3,(H,28,30)
InChIKeyCMKLBDQBVLUBNH-UHFFFAOYSA-N
XLogP4.58
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]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-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123718547
N-[1-[4-[1-[7-[(2,2-difluorocyclopropyl)methoxy]-4H-azepin-2-yl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123649257
N-[(1S)-1-[4-[1-[2-fluoro-4-(2-methoxyethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473386
N-[(1S)-1-[4-[1-(4-ethoxy-2-fluorophenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473436
N-[(1S)-1-[4-[1-[5-[[(1R)-2,2-difluorocyclopropyl]methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]cyclopropanecarboxamide
CID 90315502
N-[(1S)-1-[4-[(3R)-1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]propanamide
CID 163549545
1-[(1S)-1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-3-methylurea
CID 91668860
N-[1-[4-[1-(4-ethoxy-2-methylphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123373730
N-[(1S)-1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-2,2-difluoroacetamide
CID 91668778
4-acetamido-N-[(1S)-1-[4-[1-[5-[(2,2-difluorocyclopropyl)methoxy]-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]piperidine-1-carboxamide
CID 91668851
N-[(1S)-1-[4-[1-(2-chloro-4-propoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473329
N-[(1S)-1-[4-[(3S)-1-(4-cyclopropyloxy-2-methylphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 118473417

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 123166768) is N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is COc1cc(OCC2CC2(F)F)ccc1N1CCC(Oc2ccc(C(C)NC(C)=O)cc2)C1.
What is the InChIKey of N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is CMKLBDQBVLUBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N2O4/c1-16(28-17(2)30)18-4-6-20(7-5-18)33-22-10-11-29(14-22)23-9-8-21(12-24(23)31-3)32-15-19-13-25(19,26)27/h4-9,12,16,19,22H,10-11,13-15H2,1-3H3,(H,28,30).
What are the key properties of N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 460.52 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-methoxyphenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 123166768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).