10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H33N3O3 — CID 72878417

IUPAC10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCOCCC(=O)N1CCN(C)C2(CCC(=O)N(CC3CC3)CC2)C1
InChIInChI=1S/C19H33N3O3/c1-3-25-13-7-18(24)22-12-11-20(2)19(15-22)8-6-17(23)21(10-9-19)14-16-4-5-16/h16H,3-15H2,1-2H3
InChIKeyOODHGOQAABOVIC-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.35
Rot. Bonds6

About 10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one

10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 72878417) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID72878417
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCCOCCC(=O)N1CCN(C)C2(CCC(=O)N(CC3CC3)CC2)C1
InChIInChI=1S/C19H33N3O3/c1-3-25-13-7-18(24)22-12-11-20(2)19(15-22)8-6-17(23)21(10-9-19)14-16-4-5-16/h16H,3-15H2,1-2H3
InChIKeyOODHGOQAABOVIC-UHFFFAOYSA-N
XLogP1.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 72878417) is 10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is CCOCCC(=O)N1CCN(C)C2(CCC(=O)N(CC3CC3)CC2)C1.
What is the InChIKey of 10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is OODHGOQAABOVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-3-25-13-7-18(24)22-12-11-20(2)19(15-22)8-6-17(23)21(10-9-19)14-16-4-5-16/h16H,3-15H2,1-2H3.
What are the key properties of 10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 351.49 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 72878417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).