N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide

C20H29N3O4 — CID 134075858

IUPACN-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide
SMILESCNC(=O)CN1CCC2(CC1)CC(C(=O)NCCOC)Oc1ccccc12
InChIInChI=1S/C20H29N3O4/c1-21-18(24)14-23-10-7-20(8-11-23)13-17(19(25)22-9-12-26-2)27-16-6-4-3-5-15(16)20/h3-6,17H,7-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHEJWRODVNUVAPM-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.68
Rot. Bonds6

About N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide

N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide (PubChem CID 134075858) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide
PubChem CID134075858
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide
SMILESCNC(=O)CN1CCC2(CC1)CC(C(=O)NCCOC)Oc1ccccc12
InChIInChI=1S/C20H29N3O4/c1-21-18(24)14-23-10-7-20(8-11-23)13-17(19(25)22-9-12-26-2)27-16-6-4-3-5-15(16)20/h3-6,17H,7-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHEJWRODVNUVAPM-UHFFFAOYSA-N
XLogP0.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-O'-tert-butyl 2-O-methyl spiro[2,3-dihydrochromene-4,4'-piperidine]-1',2-dicarboxylate
CID 131638046
1-O'-tert-butyl 2-O-methyl (2S)-spiro[2,3-dihydrochromene-4,4'-piperidine]-1',2-dicarboxylate
CID 125247753
(2R)-N-propan-2-yl-1'-pyrimidin-2-ylspiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide
CID 97401341
N-(2-methoxyethyl)-1-(3-methylbutyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 131645127
(2'S,3S)-2-benzyl-N-(2-methoxyethyl)spiro[1H-isoindole-3,4'-oxolane]-2'-carboxamide
CID 97439490
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 42851078
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
methyl 1'-(4-nitro-2-pyridinyl)spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxylate
CID 71193436
N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376493
4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 17322160
2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51632258
2-[[N-benzyl-C-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]carbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111412119

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide (CID 134075858) is N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide is CNC(=O)CN1CCC2(CC1)CC(C(=O)NCCOC)Oc1ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide?
The InChIKey is HEJWRODVNUVAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-21-18(24)14-23-10-7-20(8-11-23)13-17(19(25)22-9-12-26-2)27-16-6-4-3-5-15(16)20/h3-6,17H,7-14H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide?
N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1'-[2-(methylamino)-2-oxoethyl]spiro[2,3-dihydrochromene-4,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 134075858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).