tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate

C19H30N2O3 — CID 124567167

IUPACtert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate
SMILESCO[C@@H]1CCN(Cc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)C1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)24-18(22)20(4)12-15-6-8-16(9-7-15)13-21-11-10-17(14-21)23-5/h6-9,17H,10-14H2,1-5H3/t17-/m1/s1
InChIKeyDNULXJSBQIUPKT-QGZVFWFLSA-N
MW334.46 g/mol
LogP3.27
Rot. Bonds5

About tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate

tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate (PubChem CID 124567167) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate
PubChem CID124567167
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate
SMILESCO[C@@H]1CCN(Cc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)C1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)24-18(22)20(4)12-15-6-8-16(9-7-15)13-21-11-10-17(14-21)23-5/h6-9,17H,10-14H2,1-5H3/t17-/m1/s1
InChIKeyDNULXJSBQIUPKT-QGZVFWFLSA-N
XLogP3.27
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[4-[[(3S)-3-(dimethylcarbamoyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate
CID 124565876
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
tert-butyl N-[2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]ethyl]carbamate
CID 123896441
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
(2E)-N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-N-methyl-2-(methylidenehydrazinylidene)propanamide
CID 143943632
tert-butyl (3R)-1-benzylpyrrolidine-3-carboxylate
CID 53487886
tert-butyl N-[2-[4-[(3-methoxyazetidin-1-yl)methyl]phenyl]ethyl]carbamate
CID 91506773
5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide
CID 171490318
[4-(1-benzylpyrrolidin-3-yl)phenyl]methyl-tert-butylcarbamic acid
CID 54099067

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate (CID 124567167) is tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate is CO[C@@H]1CCN(Cc2ccc(CN(C)C(=O)OC(C)(C)C)cc2)C1.
What is the InChIKey of tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate?
The InChIKey is DNULXJSBQIUPKT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-19(2,3)24-18(22)20(4)12-15-6-8-16(9-7-15)13-21-11-10-17(14-21)23-5/h6-9,17H,10-14H2,1-5H3/t17-/m1/s1.
What are the key properties of tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate?
tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate has a molecular weight of 334.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 124567167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).