benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate

C19H30N2O2 — CID 4712732

IUPACbenzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate
SMILESCCC(C)C(CN1CCCC1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-4-16(2)18(14-21-12-8-9-13-21)20(3)19(22)23-15-17-10-6-5-7-11-17/h5-7,10-11,16,18H,4,8-9,12-15H2,1-3H3
InChIKeyFMEQBXKNQUWRIY-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.77
Rot. Bonds7

About benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate

benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate (PubChem CID 4712732) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate
PubChem CID4712732
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Namebenzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate
SMILESCCC(C)C(CN1CCCC1)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-4-16(2)18(14-21-12-8-9-13-21)20(3)19(22)23-15-17-10-6-5-7-11-17/h5-7,10-11,16,18H,4,8-9,12-15H2,1-3H3
InChIKeyFMEQBXKNQUWRIY-UHFFFAOYSA-N
XLogP3.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)-N-methylcarbamate
CID 2758653
(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227
benzyl N-methyl-N-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]carbamate
CID 2760536
benzyl N-methyl-N-[(1S)-1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]carbamate
CID 7022446
benzyl N-[(1S)-1-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate
CID 7022442
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 2769576
benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate
CID 97295322
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
benzyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
CID 67311271
(E,4S,5S)-5-methyl-4-[methyl(phenylmethoxycarbonyl)amino]hept-2-enoic acid
CID 10590691
benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid
CID 163373377

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate?
The IUPAC name of benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate (CID 4712732) is benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate.
What is the SMILES notation for benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate?
The canonical SMILES for benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate is CCC(C)C(CN1CCCC1)N(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate?
The InChIKey is FMEQBXKNQUWRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-16(2)18(14-21-12-8-9-13-21)20(3)19(22)23-15-17-10-6-5-7-11-17/h5-7,10-11,16,18H,4,8-9,12-15H2,1-3H3.
What are the key properties of benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate?
benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate has a molecular weight of 318.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate is sourced from PubChem (CID 4712732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).