(2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide

C21H27N3O2 — CID 126439982

IUPAC(2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide
SMILESCOCCn1cncc1CNC(=O)[C@@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C21H27N3O2/c1-26-12-11-24-16-22-13-18(24)14-23-19(25)21(17-7-3-2-4-8-17)15-20(21)9-5-6-10-20/h2-4,7-8,13,16H,5-6,9-12,14-15H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyDMJGMXJZDYKGIU-NRFANRHFSA-N
MW353.47 g/mol
LogP3.05
Rot. Bonds7

About (2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide

(2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide (PubChem CID 126439982) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide
PubChem CID126439982
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide
SMILESCOCCn1cncc1CNC(=O)[C@@]1(c2ccccc2)CC12CCCC2
InChIInChI=1S/C21H27N3O2/c1-26-12-11-24-16-22-13-18(24)14-23-19(25)21(17-7-3-2-4-8-17)15-20(21)9-5-6-10-20/h2-4,7-8,13,16H,5-6,9-12,14-15H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyDMJGMXJZDYKGIU-NRFANRHFSA-N
XLogP3.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
CID 154921023
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
CID 91774846
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91777901
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 118788982
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 118788781
2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
CID 118771778
(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide
CID 99970498
2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
CID 135110031
(2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126423833
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46992676
(2R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 126431414
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 119066697

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide (CID 126439982) is (2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide is COCCn1cncc1CNC(=O)[C@@]1(c2ccccc2)CC12CCCC2.
What is the InChIKey of (2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide?
The InChIKey is DMJGMXJZDYKGIU-NRFANRHFSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-12-11-24-16-22-13-18(24)14-23-19(25)21(17-7-3-2-4-8-17)15-20(21)9-5-6-10-20/h2-4,7-8,13,16H,5-6,9-12,14-15H2,1H3,(H,23,25)/t21-/m0/s1.
What are the key properties of (2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide?
(2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 126439982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).