N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide

C22H30N2O3 — CID 22837720

IUPACN-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide
SMILESC#CCN(C)[C@H]1C[C@@]2(CCCO2)CC[C@@H]1N(C)C(=O)COc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-4-14-23(2)20-16-22(12-8-15-27-22)13-11-19(20)24(3)21(25)17-26-18-9-6-5-7-10-18/h1,5-7,9-10,19-20H,8,11-17H2,2-3H3/t19-,20-,22+/m0/s1
InChIKeyKDZLPWXUQWOUFV-JAXLGGSGSA-N
MW370.49 g/mol
LogP2.56
Rot. Bonds6

About N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide

N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide (PubChem CID 22837720) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide
PubChem CID22837720
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide
SMILESC#CCN(C)[C@H]1C[C@@]2(CCCO2)CC[C@@H]1N(C)C(=O)COc1ccccc1
InChIInChI=1S/C22H30N2O3/c1-4-14-23(2)20-16-22(12-8-15-27-22)13-11-19(20)24(3)21(25)17-26-18-9-6-5-7-10-18/h1,5-7,9-10,19-20H,8,11-17H2,2-3H3/t19-,20-,22+/m0/s1
InChIKeyKDZLPWXUQWOUFV-JAXLGGSGSA-N
XLogP2.56
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenoxy)-N-methyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
CID 14823157
2-(3,4-dichlorophenoxy)-N-methyl-N-[(5R,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 18641708
N-methyl-2-(3-nitrophenoxy)-N-[(5S,7R,8R)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 14155492
N-methyl-2-naphthalen-1-yloxy-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
CID 14155457
N-(2-aminocyclohexyl)-N-methyl-2-phenoxyacetamide
CID 102638826
N-methyl-2-phenoxy-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46877991
N-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 14040444
8-[benzyl(methyl)amino]-1-oxaspiro[4.5]decan-7-ol
CID 166456949
2-(1-benzofuran-2-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 22837715
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;ethane;N-methyl-N-(3-methyl-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)-2-phenylacetamide;N-methyl-2-phenyl-N-(7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl)acetamide
CID 158066971
N-(2-bromocyclohexyl)-2-(4-chlorophenoxy)-N-methylacetamide
CID 102638440
2-(2,3-dihydro-1-benzofuran-4-yl)-N-methyl-N-[(5S,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
CID 14986779

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide?
The IUPAC name of N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide (CID 22837720) is N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide?
The canonical SMILES for N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide is C#CCN(C)[C@H]1C[C@@]2(CCCO2)CC[C@@H]1N(C)C(=O)COc1ccccc1.
What is the InChIKey of N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide?
The InChIKey is KDZLPWXUQWOUFV-JAXLGGSGSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-14-23(2)20-16-22(12-8-15-27-22)13-11-19(20)24(3)21(25)17-26-18-9-6-5-7-10-18/h1,5-7,9-10,19-20H,8,11-17H2,2-3H3/t19-,20-,22+/m0/s1.
What are the key properties of N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide?
N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide has a molecular weight of 370.49 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5S,7S,8S)-7-[methyl(prop-2-ynyl)amino]-1-oxaspiro[4.5]decan-8-yl]-2-phenoxyacetamide is sourced from PubChem (CID 22837720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).