N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid

C20H28F3N3O5 — CID 155844888

IUPACN,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2C[C@@H](C)[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N3O3.C2HF3O2/c1-13-9-20(10-15-6-5-14(2)24-15)12-18(13)7-8-21(17(18)23)11-16(22)19(3)4;3-2(4,5)1(6)7/h5-6,13H,7-12H2,1-4H3;(H,6,7)/t13-,18-;/m1./s1
InChIKeyIEUFZWYXEOVFLJ-QRGZVCNKSA-N
MW447.45 g/mol
LogP1.98
Rot. Bonds4

About N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155844888) has the molecular formula C20H28F3N3O5 and a molecular weight of 447.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID155844888
Molecular FormulaC20H28F3N3O5
Molecular Weight447.45 g/mol
Exact Mass447.20
IUPAC NameN,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2C[C@@H](C)[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N3O3.C2HF3O2/c1-13-9-20(10-15-6-5-14(2)24-15)12-18(13)7-8-21(17(18)23)11-16(22)19(3)4;3-2(4,5)1(6)7/h5-6,13H,7-12H2,1-4H3;(H,6,7)/t13-,18-;/m1./s1
InChIKeyIEUFZWYXEOVFLJ-QRGZVCNKSA-N
XLogP1.98
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(5S,9S)-2-[2-(dimethylamino)ethyl]-9-methyl-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155862681
N,N-dimethyl-2-[(9S)-9-methyl-1-oxo-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155848487
2-[(5S,9S)-7-(cyclopropylmethyl)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 127022082
2-methyl-7-[(5-methylfuran-2-yl)methyl]-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155833321
4-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 118745538
(5S,9S)-7-[(4-methoxyphenyl)methyl]-9-methyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155839763
3-[[(5S,9S)-2-[2-(dimethylamino)ethyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]methyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 155836487
13-acetyl-3-ethyl-9-[(5-methylfuran-2-yl)methyl]-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one;2,2,2-trifluoroacetic acid
CID 155837714
(5S,9S)-9-methyl-2-prop-2-enyl-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155852093
(3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155841005
2-[(3aS,7aS)-2-[(5-methylfuran-2-yl)methyl]-4-oxo-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]-N,N-dimethylacetamide
CID 124807020
N,N-dimethyl-2-[[6-[(5-methylfuran-2-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
CID 171673158

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid (CID 155844888) is N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid is Cc1ccc(CN2C[C@@H](C)[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is IEUFZWYXEOVFLJ-QRGZVCNKSA-N. The full InChI is InChI=1S/C18H27N3O3.C2HF3O2/c1-13-9-20(10-15-6-5-14(2)24-15)12-18(13)7-8-21(17(18)23)11-16(22)19(3)4;3-2(4,5)1(6)7/h5-6,13H,7-12H2,1-4H3;(H,6,7)/t13-,18-;/m1./s1.
What are the key properties of N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 447.45 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(5S,9S)-9-methyl-7-[(5-methylfuran-2-yl)methyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155844888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).