(5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one

C17H25N3O3 — CID 97360161

IUPAC(5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCCN1C[C@@]2(CC1=O)CN(Cc1ccco1)CCN(C(C)=O)C2
InChIInChI=1S/C17H25N3O3/c1-3-19-12-17(9-16(19)22)11-18(10-15-5-4-8-23-15)6-7-20(13-17)14(2)21/h4-5,8H,3,6-7,9-13H2,1-2H3/t17-/m1/s1
InChIKeyUJARQFROVYAXFC-QGZVFWFLSA-N
MW319.40 g/mol
LogP1.18
Rot. Bonds3

About (5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one

(5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one (PubChem CID 97360161) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name(5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
PubChem CID97360161
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCCN1C[C@@]2(CC1=O)CN(Cc1ccco1)CCN(C(C)=O)C2
InChIInChI=1S/C17H25N3O3/c1-3-19-12-17(9-16(19)22)11-18(10-15-5-4-8-23-15)6-7-20(13-17)14(2)21/h4-5,8H,3,6-7,9-13H2,1-2H3/t17-/m1/s1
InChIKeyUJARQFROVYAXFC-QGZVFWFLSA-N
XLogP1.18
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-2-ethyl-10-(furan-2-ylmethyl)-7-(2-methylpropanoyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360197
(5S)-10-acetyl-7-(furan-2-ylmethyl)-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360063
(5S)-7-acetyl-2-ethyl-10-(pyridin-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360175
(5S)-10-acetyl-2-ethyl-7-(thiophene-2-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360190
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
10-acetyl-2-ethyl-7-(1H-pyrrole-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131696238
(5S)-10-acetyl-2-methyl-7-[(5-methylthiophen-2-yl)methyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360072
(5S)-10-acetyl-2-ethyl-7-(oxane-4-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360196
10-acetyl-2-ethyl-7-(thiophene-3-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 131660635
2-ethyl-N,N-dimethyl-3-oxo-10-(thiophen-3-ylmethyl)-2,7,10-triazaspiro[4.6]undecane-7-carboxamide
CID 131654839
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
2-amino-2-ethyl-1-[4-(furan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 79810335

Frequently Asked Questions

What is the IUPAC name of (5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The IUPAC name of (5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one (CID 97360161) is (5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one.
What is the SMILES notation for (5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The canonical SMILES for (5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one is CCN1C[C@@]2(CC1=O)CN(Cc1ccco1)CCN(C(C)=O)C2.
What is the InChIKey of (5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
The InChIKey is UJARQFROVYAXFC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-19-12-17(9-16(19)22)11-18(10-15-5-4-8-23-15)6-7-20(13-17)14(2)21/h4-5,8H,3,6-7,9-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one?
(5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one has a molecular weight of 319.40 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-acetyl-2-ethyl-10-(furan-2-ylmethyl)-2,7,10-triazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 97360161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).