1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone

C27H32N2O6 — CID 19437053

IUPAC1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone
SMILESCOc1ccc(OCC(=O)N2CCCC2C(=O)N2CCCC2C(=O)COCc2ccccc2)cc1
InChIInChI=1S/C27H32N2O6/c1-33-21-11-13-22(14-12-21)35-19-26(31)28-15-6-10-24(28)27(32)29-16-5-9-23(29)25(30)18-34-17-20-7-3-2-4-8-20/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3
InChIKeyBILRMHQYDXDHCP-UHFFFAOYSA-N
MW480.56 g/mol
LogP2.84
Rot. Bonds10

About 1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone

1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone (PubChem CID 19437053) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is 1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone
PubChem CID19437053
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone
SMILESCOc1ccc(OCC(=O)N2CCCC2C(=O)N2CCCC2C(=O)COCc2ccccc2)cc1
InChIInChI=1S/C27H32N2O6/c1-33-21-11-13-22(14-12-21)35-19-26(31)28-15-6-10-24(28)27(32)29-16-5-9-23(29)25(30)18-34-17-20-7-3-2-4-8-20/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3
InChIKeyBILRMHQYDXDHCP-UHFFFAOYSA-N
XLogP2.84
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-1-[(2S)-1-[(2R)-1-(2-phenoxyacetyl)pyrrolidine-2-carbonyl]pyrrolidin-2-yl]ethanone
CID 67771461
(3S)-1-hydroxy-3-[(2S)-1-[(2S)-1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-4-phenylmethoxybutan-2-one
CID 142629278
1-[(2S)-2-[(2S)-2-(2-phenoxyacetyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 70048516
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 112766807
1-[(2S)-2-[(2S)-2-[2-(4-chlorophenoxy)acetyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 67771360
1-[2-(4-methoxyphenoxy)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134033114
benzyl (2S)-2-[(2S)-2-[2-(4-methoxyphenyl)sulfinylacetyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 56979710
N-benzyl-2-[(2S)-2-(2-phenoxyacetyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 66779045
1-[(2R)-2-[(2S)-2-[1-hydroxy-2-(4-methoxyphenoxy)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 70048630
1-[(2S)-2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 110285901
(2S)-1-[(2S)-2-[(2S)-2-(2-phenoxyacetyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 22860069

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone (CID 19437053) is 1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone is COc1ccc(OCC(=O)N2CCCC2C(=O)N2CCCC2C(=O)COCc2ccccc2)cc1.
What is the InChIKey of 1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone?
The InChIKey is BILRMHQYDXDHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-33-21-11-13-22(14-12-21)35-19-26(31)28-15-6-10-24(28)27(32)29-16-5-9-23(29)25(30)18-34-17-20-7-3-2-4-8-20/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3.
What are the key properties of 1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone?
1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone has a molecular weight of 480.56 g/mol, XLogP of 2.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-(4-methoxyphenoxy)acetyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 19437053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).