benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate

C24H29NO4 — CID 10000779

IUPACbenzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCOc1ccc(C2CCN(C(=O)OCc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C24H29NO4/c1-27-22-12-11-19(15-23(22)29-21-9-5-6-10-21)20-13-14-25(16-20)24(26)28-17-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,20-21H,5-6,9-10,13-14,16-17H2,1H3
InChIKeyVUZOAOYITISYQT-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.14
Rot. Bonds6

About benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate

benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate (PubChem CID 10000779) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
PubChem CID10000779
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Namebenzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
SMILESCOc1ccc(C2CCN(C(=O)OCc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C24H29NO4/c1-27-22-12-11-19(15-23(22)29-21-9-5-6-10-21)20-13-14-25(16-20)24(26)28-17-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,20-21H,5-6,9-10,13-14,16-17H2,1H3
InChIKeyVUZOAOYITISYQT-UHFFFAOYSA-N
XLogP5.14
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Rolipram
CID 5092
N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine
CID 9841596
(S)-Rolipram
CID 158758
GW-3600
CID 9842576
4-Methoxy-3-(2-phenylethoxy)-N,N-dipropylbenzeneethanamine hydrochloride (1:1)
CID 9952420
(-)-Rolipram
CID 448055
N,N-bis(3,4-dimethoxyphenethyl)-N-methylamine
CID 5714
N-[2-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986926
(4S)-1-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 11268574
1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2878572
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237241
1-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-propyl]-1,3-dihydro-imidazol-2-one
CID 9948833

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate (CID 10000779) is benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate is COc1ccc(C2CCN(C(=O)OCc3ccccc3)C2)cc1OC1CCCC1.
What is the InChIKey of benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
The InChIKey is VUZOAOYITISYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-27-22-12-11-19(15-23(22)29-21-9-5-6-10-21)20-13-14-25(16-20)24(26)28-17-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,20-21H,5-6,9-10,13-14,16-17H2,1H3.
What are the key properties of benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate?
benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 10000779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).