N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide

C22H28N2O3 — CID 71801308

IUPACN-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide
SMILESCOc1ccc(C2CCCN2CCNC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-17(27-20-7-4-3-5-8-20)22(25)23-14-16-24-15-6-9-21(24)18-10-12-19(26-2)13-11-18/h3-5,7-8,10-13,17,21H,6,9,14-16H2,1-2H3,(H,23,25)
InChIKeyXLCMPUKIIAXZGM-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.42
Rot. Bonds8

About N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide

N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide (PubChem CID 71801308) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide
PubChem CID71801308
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide
SMILESCOc1ccc(C2CCCN2CCNC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-17(27-20-7-4-3-5-8-20)22(25)23-14-16-24-15-6-9-21(24)18-10-12-19(26-2)13-11-18/h3-5,7-8,10-13,17,21H,6,9,14-16H2,1-2H3,(H,23,25)
InChIKeyXLCMPUKIIAXZGM-UHFFFAOYSA-N
XLogP3.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
CID 86929905
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 90608952
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
CID 47117656
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
2-(4-methoxyphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 51327763
2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
CID 24845352
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol
CID 110880168
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-(3-acetylphenoxy)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954979

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide (CID 71801308) is N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide is COc1ccc(C2CCCN2CCNC(=O)C(C)Oc2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide?
The InChIKey is XLCMPUKIIAXZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(27-20-7-4-3-5-8-20)22(25)23-14-16-24-15-6-9-21(24)18-10-12-19(26-2)13-11-18/h3-5,7-8,10-13,17,21H,6,9,14-16H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide?
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide has a molecular weight of 368.48 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 71801308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).