tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate

C19H30N2O3 — CID 83982069

IUPACtert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate
SMILESCCOc1ccc(N2CCC(CCNC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C19H30N2O3/c1-5-23-17-8-6-16(7-9-17)21-13-11-15(14-21)10-12-20-18(22)24-19(2,3)4/h6-9,15H,5,10-14H2,1-4H3,(H,20,22)
InChIKeyDPZBYGWXOVIACA-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.83
Rot. Bonds6

About tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate

tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate (PubChem CID 83982069) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate
PubChem CID83982069
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate
SMILESCCOc1ccc(N2CCC(CCNC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C19H30N2O3/c1-5-23-17-8-6-16(7-9-17)21-13-11-15(14-21)10-12-20-18(22)24-19(2,3)4/h6-9,15H,5,10-14H2,1-4H3,(H,20,22)
InChIKeyDPZBYGWXOVIACA-UHFFFAOYSA-N
XLogP3.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.83
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

tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate
CID 86661351
3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]propanoic acid
CID 83982038
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
methyl 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83982053
4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine
CID 83982060
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
2-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]butanoic acid
CID 83982051
tert-butyl N-[[1-[[1-(4-aminophenyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]carbamate
CID 171652249
tert-butyl N-[[(3R)-1-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pyrrolidin-3-yl]methyl]carbamate
CID 87734647
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
tert-butyl N-[[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidin-4-yl]methyl]carbamate
CID 175619946
1-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethanone
CID 83982048

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate (CID 83982069) is tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate is CCOc1ccc(N2CCC(CCNC(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate?
The InChIKey is DPZBYGWXOVIACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-23-17-8-6-16(7-9-17)21-13-11-15(14-21)10-12-20-18(22)24-19(2,3)4/h6-9,15H,5,10-14H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate?
tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 83982069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).