methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate

C9H13NO4 — CID 121145445

IUPACmethyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
SMILESCOC(=O)NCC(OC)c1ccco1
InChIInChI=1S/C9H13NO4/c1-12-8(6-10-9(11)13-2)7-4-3-5-14-7/h3-5,8H,6H2,1-2H3,(H,10,11)
InChIKeyDYFROMDNZZQFHN-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.32
Rot. Bonds4

About methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate

methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate (PubChem CID 121145445) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
PubChem CID121145445
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namemethyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate
SMILESCOC(=O)NCC(OC)c1ccco1
InChIInChI=1S/C9H13NO4/c1-12-8(6-10-9(11)13-2)7-4-3-5-14-7/h3-5,8H,6H2,1-2H3,(H,10,11)
InChIKeyDYFROMDNZZQFHN-UHFFFAOYSA-N
XLogP1.32
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]butanamide
CID 99876283
N-[2-(furan-2-yl)-2-methoxyethyl]-3-methylbutanamide
CID 121145448
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methylbenzamide
CID 121145461
2,6-difluoro-N-[2-(furan-2-yl)-2-methoxyethyl]benzamide
CID 121145483
1-(3,4-dichlorophenyl)-3-[2-(furan-2-yl)-2-methoxyethyl]urea
CID 121145780
N-[2-(furan-2-yl)-2-methoxyethyl]-2-(4-phenylphenyl)acetamide
CID 121145554
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 99876519
1-(4-fluorophenyl)-3-[(2R)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876552
1-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-3-(thiophen-2-ylmethyl)urea
CID 99876553
1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876562
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 99876507
N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 99876506

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate?
The IUPAC name of methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate (CID 121145445) is methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate.
What is the SMILES notation for methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate?
The canonical SMILES for methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate is COC(=O)NCC(OC)c1ccco1.
What is the InChIKey of methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate?
The InChIKey is DYFROMDNZZQFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-12-8(6-10-9(11)13-2)7-4-3-5-14-7/h3-5,8H,6H2,1-2H3,(H,10,11).
What are the key properties of methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate?
methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate has a molecular weight of 199.21 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(furan-2-yl)-2-methoxyethyl]carbamate is sourced from PubChem (CID 121145445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).