5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide

C16H28N2O3 — CID 61040008

IUPAC5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
SMILESCCN(CC)Cc1ccc(C(=O)N(CCCO)C(C)C)o1
InChIInChI=1S/C16H28N2O3/c1-5-17(6-2)12-14-8-9-15(21-14)16(20)18(13(3)4)10-7-11-19/h8-9,13,19H,5-7,10-12H2,1-4H3
InChIKeyHFTQFOUJMUKGQJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.35
Rot. Bonds9

About 5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide

5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide (PubChem CID 61040008) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
PubChem CID61040008
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
SMILESCCN(CC)Cc1ccc(C(=O)N(CCCO)C(C)C)o1
InChIInChI=1S/C16H28N2O3/c1-5-17(6-2)12-14-8-9-15(21-14)16(20)18(13(3)4)10-7-11-19/h8-9,13,19H,5-7,10-12H2,1-4H3
InChIKeyHFTQFOUJMUKGQJ-UHFFFAOYSA-N
XLogP2.35
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylaminomethyl)-N-(4-hydroxybutyl)furan-2-carboxamide
CID 106843281
N-(2-chloroethyl)-5-ethyl-N-propan-2-ylfuran-2-carboxamide
CID 79084661
N,5-diethyl-N-(3-hydroxypropyl)furan-2-carboxamide
CID 115771226
N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040244
N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
CID 43572981
N-(3-bromopropyl)-5-methyl-N-propan-2-ylfuran-2-carboxamide
CID 80662286
2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid
CID 61013161
N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 54916950
2-[[5-(diethylaminomethyl)furan-2-carbonyl]-methylamino]-2-methylpropanoic acid
CID 62818999
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid
CID 43354372
5-[[3-(dimethylamino)propyl-ethylamino]methyl]furan-2-carboxylic acid
CID 102994678
N-(3-hydroxypropyl)-4-(methoxymethyl)-N-propan-2-ylbenzamide
CID 54916378

Frequently Asked Questions

What is the IUPAC name of 5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of 5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide (CID 61040008) is 5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide is CCN(CC)Cc1ccc(C(=O)N(CCCO)C(C)C)o1.
What is the InChIKey of 5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is HFTQFOUJMUKGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-17(6-2)12-14-8-9-15(21-14)16(20)18(13(3)4)10-7-11-19/h8-9,13,19H,5-7,10-12H2,1-4H3.
What are the key properties of 5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide?
5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 61040008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).