(1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate

C15H22N2O2 — CID 28801

IUPAC(1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate
SMILESCc1cccc(C)c1NC(=O)OCC1CCCN1C
InChIInChI=1S/C15H22N2O2/c1-11-6-4-7-12(2)14(11)16-15(18)19-10-13-8-5-9-17(13)3/h4,6-7,13H,5,8-10H2,1-3H3,(H,16,18)
InChIKeyJAHZHDCGNOYLAE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.95
Rot. Bonds3

About (1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate

(1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate (PubChem CID 28801) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate.

Molecular Properties

Compound Name(1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate
PubChem CID28801
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate
SMILESCc1cccc(C)c1NC(=O)OCC1CCCN1C
InChIInChI=1S/C15H22N2O2/c1-11-6-4-7-12(2)14(11)16-15(18)19-10-13-8-5-9-17(13)3/h4,6-7,13H,5,8-10H2,1-3H3,(H,16,18)
InChIKeyJAHZHDCGNOYLAE-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpiperidin-3-yl)methyl N-(2,6-dimethylphenyl)carbamate
CID 30374
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
3-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]benzoic acid
CID 106022154
[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3-fluorophenyl)-4-(hydroxymethyl)phenyl]carbamate
CID 121425540
(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222
N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025192
[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(4-tert-butylphenyl)-4-fluorophenyl]carbamate
CID 121425528
[(2S)-1-methylpyrrolidin-2-yl]methyl N-[2-(3,4-dichlorophenyl)-4-fluorophenyl]carbamate
CID 121425501
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110865261
N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95131755
N'-(2,6-dimethylphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 2205501

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate?
The IUPAC name of (1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate (CID 28801) is (1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate.
What is the SMILES notation for (1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate?
The canonical SMILES for (1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate is Cc1cccc(C)c1NC(=O)OCC1CCCN1C.
What is the InChIKey of (1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate?
The InChIKey is JAHZHDCGNOYLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-6-4-7-12(2)14(11)16-15(18)19-10-13-8-5-9-17(13)3/h4,6-7,13H,5,8-10H2,1-3H3,(H,16,18).
What are the key properties of (1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate?
(1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-2-yl)methyl N-(2,6-dimethylphenyl)carbamate is sourced from PubChem (CID 28801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).