10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C21H33N3O2 — CID 70718745

IUPAC10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCc1ccc(CN2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)o1
InChIInChI=1S/C21H33N3O2/c1-3-18-6-7-19(26-18)15-23-13-12-22(2)21(16-23)9-8-20(25)24(11-10-21)14-17-4-5-17/h6-7,17H,3-5,8-16H2,1-2H3
InChIKeyPDXNGKWWJYPFBY-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.75
Rot. Bonds5

About 10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70718745) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70718745
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCc1ccc(CN2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)o1
InChIInChI=1S/C21H33N3O2/c1-3-18-6-7-19(26-18)15-23-13-12-22(2)21(16-23)9-8-20(25)24(11-10-21)14-17-4-5-17/h6-7,17H,3-5,8-16H2,1-2H3
InChIKeyPDXNGKWWJYPFBY-UHFFFAOYSA-N
XLogP2.75
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70718745) is 10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCc1ccc(CN2CCN(C)C3(CCC(=O)N(CC4CC4)CC3)C2)o1.
What is the InChIKey of 10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is PDXNGKWWJYPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-3-18-6-7-19(26-18)15-23-13-12-22(2)21(16-23)9-8-20(25)24(11-10-21)14-17-4-5-17/h6-7,17H,3-5,8-16H2,1-2H3.
What are the key properties of 10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 359.51 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-4-[(5-ethylfuran-2-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70718745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).