N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C17H26N4O4 — CID 8635575

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C17H26N4O4/c1-19(10-13(22)18-12-6-7-12)14(23)11-21-15(24)17(20(2)16(21)25)8-4-3-5-9-17/h12H,3-11H2,1-2H3,(H,18,22)
InChIKeyVLFSQZIAEDNGJU-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.32
Rot. Bonds5

About N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 8635575) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID8635575
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O
InChIInChI=1S/C17H26N4O4/c1-19(10-13(22)18-12-6-7-12)14(23)11-21-15(24)17(20(2)16(21)25)8-4-3-5-9-17/h12H,3-11H2,1-2H3,(H,18,22)
InChIKeyVLFSQZIAEDNGJU-UHFFFAOYSA-N
XLogP0.32
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 8635575) is N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CN(CC(=O)NC1CC1)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is VLFSQZIAEDNGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-19(10-13(22)18-12-6-7-12)14(23)11-21-15(24)17(20(2)16(21)25)8-4-3-5-9-17/h12H,3-11H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 8635575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).