N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide

C17H28N4O3 — CID 97398729

IUPACN-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CC1)C(=O)N(CC1CC1)CCN2C
InChIInChI=1S/C17H28N4O3/c1-13(22)18-11-15(23)20-7-5-17(6-8-20)16(24)21(10-9-19(17)2)12-14-3-4-14/h14H,3-12H2,1-2H3,(H,18,22)
InChIKeyLDAKYSATPAIJSM-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.33
Rot. Bonds4

About N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide

N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide (PubChem CID 97398729) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide
PubChem CID97398729
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CC1)C(=O)N(CC1CC1)CCN2C
InChIInChI=1S/C17H28N4O3/c1-13(22)18-11-15(23)20-7-5-17(6-8-20)16(24)21(10-9-19(17)2)12-14-3-4-14/h14H,3-12H2,1-2H3,(H,18,22)
InChIKeyLDAKYSATPAIJSM-UHFFFAOYSA-N
XLogP-0.33
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide (CID 97398729) is N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC2(CC1)C(=O)N(CC1CC1)CCN2C.
What is the InChIKey of N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide?
The InChIKey is LDAKYSATPAIJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-13(22)18-11-15(23)20-7-5-17(6-8-20)16(24)21(10-9-19(17)2)12-14-3-4-14/h14H,3-12H2,1-2H3,(H,18,22).
What are the key properties of N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide?
N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropylmethyl)-1-methyl-5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 97398729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).