N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide

C16H19NO3 — CID 110782905

IUPACN-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(C(C)C)ccc1CNC(=O)c1ccco1
InChIInChI=1S/C16H19NO3/c1-11(2)12-6-7-13(15(9-12)19-3)10-17-16(18)14-5-4-8-20-14/h4-9,11H,10H2,1-3H3,(H,17,18)
InChIKeyRZFVZXMLEGDVKH-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.34
Rot. Bonds5

About N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide

N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide (PubChem CID 110782905) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide
PubChem CID110782905
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(C(C)C)ccc1CNC(=O)c1ccco1
InChIInChI=1S/C16H19NO3/c1-11(2)12-6-7-13(15(9-12)19-3)10-17-16(18)14-5-4-8-20-14/h4-9,11H,10H2,1-3H3,(H,17,18)
InChIKeyRZFVZXMLEGDVKH-UHFFFAOYSA-N
XLogP3.34
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-5-propan-2-ylphenyl)furan-2-carboxamide
CID 110776781
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194650
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide
CID 110781838
N-[(2,4-dimethoxy-3-methylphenyl)methyl]furan-2-carboxamide
CID 110783199
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide
CID 110314871
(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate
CID 58189999
2-amino-N-[(2-methoxy-4-propan-2-ylphenyl)methyl]propanamide
CID 115152376
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
N-[2-[(2-methoxy-4-propan-2-ylphenyl)methylamino]-2-oxoethyl]benzamide
CID 110794193
2-(2-methoxy-4-propan-2-ylphenyl)-N-prop-2-enylacetamide
CID 110769385
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209
1-[(2-methoxy-4-propan-2-ylphenyl)methylamino]propan-2-one
CID 115234731

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide (CID 110782905) is N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide is COc1cc(C(C)C)ccc1CNC(=O)c1ccco1.
What is the InChIKey of N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide?
The InChIKey is RZFVZXMLEGDVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(2)12-6-7-13(15(9-12)19-3)10-17-16(18)14-5-4-8-20-14/h4-9,11H,10H2,1-3H3,(H,17,18).
What are the key properties of N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide?
N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-propan-2-ylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 110782905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).