methyl N-[3-(furan-2-yl)propoxy]carbamate

C9H13NO4 — CID 110315779

IUPACmethyl N-[3-(furan-2-yl)propoxy]carbamate
SMILESCOC(=O)NOCCCc1ccco1
InChIInChI=1S/C9H13NO4/c1-12-9(11)10-14-7-3-5-8-4-2-6-13-8/h2,4,6H,3,5,7H2,1H3,(H,10,11)
InChIKeyZJASTNFRYYSJOW-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.50
Rot. Bonds5

About methyl N-[3-(furan-2-yl)propoxy]carbamate

methyl N-[3-(furan-2-yl)propoxy]carbamate (PubChem CID 110315779) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl N-[3-(furan-2-yl)propoxy]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(furan-2-yl)propoxy]carbamate
PubChem CID110315779
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namemethyl N-[3-(furan-2-yl)propoxy]carbamate
SMILESCOC(=O)NOCCCc1ccco1
InChIInChI=1S/C9H13NO4/c1-12-9(11)10-14-7-3-5-8-4-2-6-13-8/h2,4,6H,3,5,7H2,1H3,(H,10,11)
InChIKeyZJASTNFRYYSJOW-UHFFFAOYSA-N
XLogP1.50
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide
CID 110634209
ethane;2-(3-methoxypropyl)furan
CID 144595726
N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110634206
N-[3-(furan-2-yl)propoxy]-4-methoxybenzenesulfonamide
CID 110315806
3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide
CID 110634306
N-[3-(furan-2-yl)propoxy]-2,5-dimethoxybenzenesulfonamide
CID 110315822
2-(2-methoxyethyl)furan
CID 19010334
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[3-(furan-2-yl)propoxy]acetamide
CID 110634199
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[3-(furan-2-yl)propoxy]acetamide
CID 110409691
1-(4-fluorophenyl)-N-[3-(furan-2-yl)propoxy]methanesulfonamide
CID 110315838
furan-2-ylmethyl 4-(methoxycarbonylamino)butanoate
CID 164839099
methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
CID 15638338

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(furan-2-yl)propoxy]carbamate?
The IUPAC name of methyl N-[3-(furan-2-yl)propoxy]carbamate (CID 110315779) is methyl N-[3-(furan-2-yl)propoxy]carbamate.
What is the SMILES notation for methyl N-[3-(furan-2-yl)propoxy]carbamate?
The canonical SMILES for methyl N-[3-(furan-2-yl)propoxy]carbamate is COC(=O)NOCCCc1ccco1.
What is the InChIKey of methyl N-[3-(furan-2-yl)propoxy]carbamate?
The InChIKey is ZJASTNFRYYSJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-12-9(11)10-14-7-3-5-8-4-2-6-13-8/h2,4,6H,3,5,7H2,1H3,(H,10,11).
What are the key properties of methyl N-[3-(furan-2-yl)propoxy]carbamate?
methyl N-[3-(furan-2-yl)propoxy]carbamate has a molecular weight of 199.21 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(furan-2-yl)propoxy]carbamate is sourced from PubChem (CID 110315779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).