tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate

C19H30N2O2 — CID 69076839

IUPACtert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate
SMILESCC1CN(Cc2ccccc2)CC1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-14-11-21(12-16-9-7-6-8-10-16)13-17(14)15(2)20-18(22)23-19(3,4)5/h6-10,14-15,17H,11-13H2,1-5H3,(H,20,22)
InChIKeyQALVWAHCRSYNFG-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.67
Rot. Bonds4

About tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate

tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate (PubChem CID 69076839) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate
PubChem CID69076839
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate
SMILESCC1CN(Cc2ccccc2)CC1C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-14-11-21(12-16-9-7-6-8-10-16)13-17(14)15(2)20-18(22)23-19(3,4)5/h6-10,14-15,17H,11-13H2,1-5H3,(H,20,22)
InChIKeyQALVWAHCRSYNFG-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-[(1S)-1-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]ethyl]carbamate
CID 129386231
tert-butyl N-[(3S,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 70110064
tert-butyl N-[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]carbamate
CID 124748766
methyl (3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylate
CID 67801118
tert-butyl N-[(1S)-1-(1-benzylpyrrolidin-3-yl)propyl]carbamate
CID 10358533
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
tert-butyl N-[(3aS,4R,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate;tert-butyl N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 78358060
tert-butyl N-(5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl)carbamate
CID 20792134
tert-butyl N-[1-[(1-benzylpyrrolidin-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18717996

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate (CID 69076839) is tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate is CC1CN(Cc2ccccc2)CC1C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate?
The InChIKey is QALVWAHCRSYNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14-11-21(12-16-9-7-6-8-10-16)13-17(14)15(2)20-18(22)23-19(3,4)5/h6-10,14-15,17H,11-13H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate?
tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-benzyl-4-methylpyrrolidin-3-yl)ethyl]carbamate is sourced from PubChem (CID 69076839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).