N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C18H21NO3 — CID 19446522

IUPACN-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCC(C)c1ccc(OCc2ccc(C(=O)NC3CC3)o2)cc1
InChIInChI=1S/C18H21NO3/c1-12(2)13-3-7-15(8-4-13)21-11-16-9-10-17(22-16)18(20)19-14-5-6-14/h3-4,7-10,12,14H,5-6,11H2,1-2H3,(H,19,20)
InChIKeyKRDYPZUBEJFFKU-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.87
Rot. Bonds6

About N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19446522) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
PubChem CID19446522
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCC(C)c1ccc(OCc2ccc(C(=O)NC3CC3)o2)cc1
InChIInChI=1S/C18H21NO3/c1-12(2)13-3-7-15(8-4-13)21-11-16-9-10-17(22-16)18(20)19-14-5-6-14/h3-4,7-10,12,14H,5-6,11H2,1-2H3,(H,19,20)
InChIKeyKRDYPZUBEJFFKU-UHFFFAOYSA-N
XLogP3.87
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 998142
N-cyclopropyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455418
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
N-(4-ethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446544
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19455341
1-cyclopropyl-3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]urea
CID 36873362
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448118

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19446522) is N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is CC(C)c1ccc(OCc2ccc(C(=O)NC3CC3)o2)cc1.
What is the InChIKey of N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is KRDYPZUBEJFFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12(2)13-3-7-15(8-4-13)21-11-16-9-10-17(22-16)18(20)19-14-5-6-14/h3-4,7-10,12,14H,5-6,11H2,1-2H3,(H,19,20).
What are the key properties of N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19446522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).