N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide

C17H27NO3 — CID 71827324

IUPACN-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide
SMILESCCCC1(CCNC(=O)c2ccco2)CCOC(C)(C)C1
InChIInChI=1S/C17H27NO3/c1-4-7-17(9-12-21-16(2,3)13-17)8-10-18-15(19)14-6-5-11-20-14/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,18,19)
InChIKeyXUJOFYLUHOFQKW-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide

N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide (PubChem CID 71827324) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide
PubChem CID71827324
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide
SMILESCCCC1(CCNC(=O)c2ccco2)CCOC(C)(C)C1
InChIInChI=1S/C17H27NO3/c1-4-7-17(9-12-21-16(2,3)13-17)8-10-18-15(19)14-6-5-11-20-14/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,18,19)
InChIKeyXUJOFYLUHOFQKW-UHFFFAOYSA-N
XLogP3.78
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]furan-2-carboxamide
CID 110359265
2-[2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethylcarbamoyl]benzoate
CID 6970726
N-[(1-methylcyclobutyl)methyl]furan-2-carboxamide
CID 103737372
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-(2,2-dimethyloxan-4-yl)furan-2-carboxamide
CID 115563926
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
CID 111225967
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
3-(furan-2-carbonylamino)propanoic acid
CID 762504
3-benzyl-N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 45197694

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide (CID 71827324) is N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide is CCCC1(CCNC(=O)c2ccco2)CCOC(C)(C)C1.
What is the InChIKey of N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide?
The InChIKey is XUJOFYLUHOFQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-7-17(9-12-21-16(2,3)13-17)8-10-18-15(19)14-6-5-11-20-14/h5-6,11H,4,7-10,12-13H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide?
N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethyl-4-propyloxan-4-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 71827324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).