methyl N-(furan-2-ylmethyl)-N-methylcarbamate

C8H11NO3 — CID 2755161

IUPACmethyl N-(furan-2-ylmethyl)-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccco1
InChIInChI=1S/C8H11NO3/c1-9(8(10)11-2)6-7-4-3-5-12-7/h3-5H,6H2,1-2H3
InChIKeyMTGOOHLZOJXPSN-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.48
Rot. Bonds2

About methyl N-(furan-2-ylmethyl)-N-methylcarbamate

methyl N-(furan-2-ylmethyl)-N-methylcarbamate (PubChem CID 2755161) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl N-(furan-2-ylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(furan-2-ylmethyl)-N-methylcarbamate
PubChem CID2755161
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl N-(furan-2-ylmethyl)-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccco1
InChIInChI=1S/C8H11NO3/c1-9(8(10)11-2)6-7-4-3-5-12-7/h3-5H,6H2,1-2H3
InChIKeyMTGOOHLZOJXPSN-UHFFFAOYSA-N
XLogP1.48
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate
CID 51085537
methyl 2-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
CID 62012537
(Z)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 91989672
(E)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 39242195
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
CID 54878485
2-[[furan-2-ylmethyl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79270355
(2R)-4-amino-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826195

Frequently Asked Questions

What is the IUPAC name of methyl N-(furan-2-ylmethyl)-N-methylcarbamate?
The IUPAC name of methyl N-(furan-2-ylmethyl)-N-methylcarbamate (CID 2755161) is methyl N-(furan-2-ylmethyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(furan-2-ylmethyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(furan-2-ylmethyl)-N-methylcarbamate is COC(=O)N(C)Cc1ccco1.
What is the InChIKey of methyl N-(furan-2-ylmethyl)-N-methylcarbamate?
The InChIKey is MTGOOHLZOJXPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-9(8(10)11-2)6-7-4-3-5-12-7/h3-5H,6H2,1-2H3.
What are the key properties of methyl N-(furan-2-ylmethyl)-N-methylcarbamate?
methyl N-(furan-2-ylmethyl)-N-methylcarbamate has a molecular weight of 169.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(furan-2-ylmethyl)-N-methylcarbamate is sourced from PubChem (CID 2755161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).