N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide

C17H25N3O4 — CID 97117367

IUPACN-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
SMILESO=C(CN1CC[C@@]2(CCCN(CCO)C2=O)C1)NCc1ccco1
InChIInChI=1S/C17H25N3O4/c21-9-8-20-6-2-4-17(16(20)23)5-7-19(13-17)12-15(22)18-11-14-3-1-10-24-14/h1,3,10,21H,2,4-9,11-13H2,(H,18,22)/t17-/m0/s1
InChIKeyPFMHQEATIZRLNK-KRWDZBQOSA-N
MW335.40 g/mol
LogP0.20
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide

N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 97117367) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID97117367
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
SMILESO=C(CN1CC[C@@]2(CCCN(CCO)C2=O)C1)NCc1ccco1
InChIInChI=1S/C17H25N3O4/c21-9-8-20-6-2-4-17(16(20)23)5-7-19(13-17)12-15(22)18-11-14-3-1-10-24-14/h1,3,10,21H,2,4-9,11-13H2,(H,18,22)/t17-/m0/s1
InChIKeyPFMHQEATIZRLNK-KRWDZBQOSA-N
XLogP0.20
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
N-[(2-methoxyphenyl)methyl]-2-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]acetamide
CID 97120455
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984175
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-[2-(2-morpholin-4-ylethyl)-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 175642147
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
(4R)-8-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97189603
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 17034773

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide (CID 97117367) is N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide is O=C(CN1CC[C@@]2(CCCN(CCO)C2=O)C1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is PFMHQEATIZRLNK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25N3O4/c21-9-8-20-6-2-4-17(16(20)23)5-7-19(13-17)12-15(22)18-11-14-3-1-10-24-14/h1,3,10,21H,2,4-9,11-13H2,(H,18,22)/t17-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide?
N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 97117367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).