N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide

C12H19NO3 — CID 115771226

IUPACN,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)N(CC)CCCO)o1
InChIInChI=1S/C12H19NO3/c1-3-10-6-7-11(16-10)12(15)13(4-2)8-5-9-14/h6-7,14H,3-5,8-9H2,1-2H3
InChIKeyORVPDKCCJIWPCW-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.69
Rot. Bonds6

About N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide

N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide (PubChem CID 115771226) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
PubChem CID115771226
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
SMILESCCc1ccc(C(=O)N(CC)CCCO)o1
InChIInChI=1S/C12H19NO3/c1-3-10-6-7-11(16-10)12(15)13(4-2)8-5-9-14/h6-7,14H,3-5,8-9H2,1-2H3
InChIKeyORVPDKCCJIWPCW-UHFFFAOYSA-N
XLogP1.69
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide
CID 113339443
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide
CID 114263891
N-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 78883229
2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
5-(bromomethyl)-N,N-diethylfuran-2-carboxamide
CID 134860219
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
N-(3-aminopropyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 43136432
5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040008
N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
CID 107689617
5-bromo-N-[3-(diethylamino)propyl]-N-ethylfuran-2-carboxamide
CID 102993497
N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide
CID 79084049

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide?
The IUPAC name of N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide (CID 115771226) is N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide.
What is the SMILES notation for N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide?
The canonical SMILES for N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide is CCc1ccc(C(=O)N(CC)CCCO)o1.
What is the InChIKey of N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide?
The InChIKey is ORVPDKCCJIWPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-10-6-7-11(16-10)12(15)13(4-2)8-5-9-14/h6-7,14H,3-5,8-9H2,1-2H3.
What are the key properties of N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide?
N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide is sourced from PubChem (CID 115771226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).