phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate

C16H19NO3 — CID 61068434

IUPACphenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate
SMILESCc1ccc(CN(C(=O)Oc2ccccc2)C(C)C)o1
InChIInChI=1S/C16H19NO3/c1-12(2)17(11-15-10-9-13(3)19-15)16(18)20-14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3
InChIKeyQLOTYIBSKGEFAS-UHFFFAOYSA-N
MW273.33 g/mol
LogP4.00
Rot. Bonds4

About phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate

phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate (PubChem CID 61068434) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Namephenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate
PubChem CID61068434
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namephenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate
SMILESCc1ccc(CN(C(=O)Oc2ccccc2)C(C)C)o1
InChIInChI=1S/C16H19NO3/c1-12(2)17(11-15-10-9-13(3)19-15)16(18)20-14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3
InChIKeyQLOTYIBSKGEFAS-UHFFFAOYSA-N
XLogP4.00
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
phenyl N-(3-aminopropyl)-N-propan-2-ylcarbamate
CID 43137069
2-methyl-2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 62847266
4-amino-3-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
CID 103155199
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid
CID 43526412
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpentanamide
CID 82011876
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 115497521
2-amino-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbutanamide
CID 55081016
4-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]butanoic acid
CID 60833315
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
CID 60965797
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115286690

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate?
The IUPAC name of phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate (CID 61068434) is phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate is Cc1ccc(CN(C(=O)Oc2ccccc2)C(C)C)o1.
What is the InChIKey of phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate?
The InChIKey is QLOTYIBSKGEFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-12(2)17(11-15-10-9-13(3)19-15)16(18)20-14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3.
What are the key properties of phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate?
phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate has a molecular weight of 273.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 61068434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).