2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C20H29N5O3 — CID 140797752

IUPAC2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCN1C(=O)N(CC(N)=O)CC12CCC(c1ccccc1)(N(C)CC(N)=O)CC2
InChIInChI=1S/C20H29N5O3/c1-23(12-16(21)26)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-25(13-17(22)27)18(28)24(19)2/h3-7H,8-14H2,1-2H3,(H2,21,26)(H2,22,27)
InChIKeyDIHZYLWYLLVNMF-UHFFFAOYSA-N
MW387.48 g/mol
LogP0.46
Rot. Bonds6

About 2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide

2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 140797752) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound Name2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID140797752
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCN1C(=O)N(CC(N)=O)CC12CCC(c1ccccc1)(N(C)CC(N)=O)CC2
InChIInChI=1S/C20H29N5O3/c1-23(12-16(21)26)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-25(13-17(22)27)18(28)24(19)2/h3-7H,8-14H2,1-2H3,(H2,21,26)(H2,22,27)
InChIKeyDIHZYLWYLLVNMF-UHFFFAOYSA-N
XLogP0.46
TPSA112.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of 2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 140797752) is 2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for 2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for 2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CN1C(=O)N(CC(N)=O)CC12CCC(c1ccccc1)(N(C)CC(N)=O)CC2.
What is the InChIKey of 2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is DIHZYLWYLLVNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-23(12-16(21)26)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-25(13-17(22)27)18(28)24(19)2/h3-7H,8-14H2,1-2H3,(H2,21,26)(H2,22,27).
What are the key properties of 2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 387.48 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2-amino-2-oxoethyl)-methylamino]-1-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 140797752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).