4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide

C20H32F3N5O4 — CID 166894928

IUPAC4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide
SMILESCNCC(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C20H32F3N5O4/c1-13(2)8-14(26-15(29)9-24-3)17(31)25-10-16(30)27-6-4-19(5-7-27)11-28(12-19)18(32)20(21,22)23/h13-14,24H,4-12H2,1-3H3,(H,25,31)(H,26,29)
InChIKeyCBVOVLXDOXTBQJ-UHFFFAOYSA-N
MW463.50 g/mol
LogP-0.13
Rot. Bonds8

About 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide

4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide (PubChem CID 166894928) has the molecular formula C20H32F3N5O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide.

Molecular Properties

Compound Name4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide
PubChem CID166894928
Molecular FormulaC20H32F3N5O4
Molecular Weight463.50 g/mol
Exact Mass463.24
IUPAC Name4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide
SMILESCNCC(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C20H32F3N5O4/c1-13(2)8-14(26-15(29)9-24-3)17(31)25-10-16(30)27-6-4-19(5-7-27)11-28(12-19)18(32)20(21,22)23/h13-14,24H,4-12H2,1-3H3,(H,25,31)(H,26,29)
InChIKeyCBVOVLXDOXTBQJ-UHFFFAOYSA-N
XLogP-0.13
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide with MolForge

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Related Compounds

tert-butyl N-[2-[7-[2-[[4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]carbamate
CID 166894911
N-[2-(7-formyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-4-methyl-2-[[2-(methylamino)acetyl]amino]pentanamide
CID 166894956
4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-(2-oxo-3,10-diazadispiro[4.1.57.15]tridecan-10-yl)ethyl]pentanamide
CID 166894997
N-[2-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-oxoethyl]-2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]-4-methylpentanamide
CID 137433158
tert-butyl N-[1-[[2-[[4-methyl-1-[[2-[2-(3-methylsulfanylazetidine-1-carbonyl)-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 137433125
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone
CID 131089762
2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]-4-methyl-N-[2-oxo-2-(2-piperazin-1-yl-7-azaspiro[3.5]nonan-7-yl)ethyl]pentanamide
CID 146625876
methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate
CID 43229599
1-(6-azaspiro[2.5]octan-6-yl)-2-(methylamino)ethanone;hydrochloride
CID 131089761
N-methyl-2-[2-(methylamino)acetyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 146624355
2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]-4-methyl-N-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]pentanamide
CID 137433204
N-[(2S)-4-methyl-1-oxo-1-spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-ylpentan-2-yl]acetamide
CID 122138775

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide?
The IUPAC name of 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide (CID 166894928) is 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide.
What is the SMILES notation for 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide?
The canonical SMILES for 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide is CNCC(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)C(F)(F)F)C2.
What is the InChIKey of 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide?
The InChIKey is CBVOVLXDOXTBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F3N5O4/c1-13(2)8-14(26-15(29)9-24-3)17(31)25-10-16(30)27-6-4-19(5-7-27)11-28(12-19)18(32)20(21,22)23/h13-14,24H,4-12H2,1-3H3,(H,25,31)(H,26,29).
What are the key properties of 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide?
4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide has a molecular weight of 463.50 g/mol, XLogP of -0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(methylamino)acetyl]amino]-N-[2-oxo-2-[2-(2,2,2-trifluoroacetyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethyl]pentanamide is sourced from PubChem (CID 166894928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).