2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

C20H31N3O3 — CID 118745573

IUPAC2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCOCCN1CCC2(CC1)CC(NC(=O)CN(C)C)c1ccccc1O2
InChIInChI=1S/C20H31N3O3/c1-22(2)15-19(24)21-17-14-20(26-18-7-5-4-6-16(17)18)8-10-23(11-9-20)12-13-25-3/h4-7,17H,8-15H2,1-3H3,(H,21,24)
InChIKeyRXXWOCMRJLMSLR-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.67
Rot. Bonds6

About 2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 118745573) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
PubChem CID118745573
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCOCCN1CCC2(CC1)CC(NC(=O)CN(C)C)c1ccccc1O2
InChIInChI=1S/C20H31N3O3/c1-22(2)15-19(24)21-17-14-20(26-18-7-5-4-6-16(17)18)8-10-23(11-9-20)12-13-25-3/h4-7,17H,8-15H2,1-3H3,(H,21,24)
InChIKeyRXXWOCMRJLMSLR-UHFFFAOYSA-N
XLogP1.67
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 118745573) is 2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is COCCN1CCC2(CC1)CC(NC(=O)CN(C)C)c1ccccc1O2.
What is the InChIKey of 2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The InChIKey is RXXWOCMRJLMSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-22(2)15-19(24)21-17-14-20(26-18-7-5-4-6-16(17)18)8-10-23(11-9-20)12-13-25-3/h4-7,17H,8-15H2,1-3H3,(H,21,24).
What are the key properties of 2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 118745573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).