[(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid

C23H25NO5 — CID 174226393

IUPAC[(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid
SMILESCOCCOc1ccccc1-c1ccc2c(c1)CCC1(CC1)[C@]2(C=O)NC(=O)O
InChIInChI=1S/C23H25NO5/c1-28-12-13-29-20-5-3-2-4-18(20)16-6-7-19-17(14-16)8-9-22(10-11-22)23(19,15-25)24-21(26)27/h2-7,14-15,24H,8-13H2,1H3,(H,26,27)/t23-/m1/s1
InChIKeyREODPVJLSFSQKX-HSZRJFAPSA-N
MW395.46 g/mol
LogP3.77
Rot. Bonds7

About [(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid

[(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid (PubChem CID 174226393) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is [(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid
PubChem CID174226393
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name[(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid
SMILESCOCCOc1ccccc1-c1ccc2c(c1)CCC1(CC1)[C@]2(C=O)NC(=O)O
InChIInChI=1S/C23H25NO5/c1-28-12-13-29-20-5-3-2-4-18(20)16-6-7-19-17(14-16)8-9-22(10-11-22)23(19,15-25)24-21(26)27/h2-7,14-15,24H,8-13H2,1H3,(H,26,27)/t23-/m1/s1
InChIKeyREODPVJLSFSQKX-HSZRJFAPSA-N
XLogP3.77
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-(4-chloro-3-methoxyphenyl)-1-formylspiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid
CID 174226646
4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
CID 113438349
methyl 4-[2-(2-methoxyethoxy)phenyl]benzoate
CID 67257428
[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568722
2-[2-(2-methoxyethoxy)phenyl]-5-methylbenzoic acid
CID 104660750
4-[2-(2-methoxyethoxy)phenyl]-3-methylbenzoic acid
CID 104660748
3-[2-(2-methoxyethoxy)phenyl]aniline
CID 104660805
2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314
6-[4-[2-(2-methoxyethoxy)phenyl]-3-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 169134131
6-[5,5-difluoro-4-[2-(2-methoxyethoxy)phenyl]-6,7-dihydrocyclopenta[d]pyridazin-1-yl]-1,2,3,4-tetrahydroisoquinoline
CID 176700872
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 156739968

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid?
The IUPAC name of [(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid (CID 174226393) is [(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid.
What is the SMILES notation for [(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid?
The canonical SMILES for [(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid is COCCOc1ccccc1-c1ccc2c(c1)CCC1(CC1)[C@]2(C=O)NC(=O)O.
What is the InChIKey of [(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid?
The InChIKey is REODPVJLSFSQKX-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25NO5/c1-28-12-13-29-20-5-3-2-4-18(20)16-6-7-19-17(14-16)8-9-22(10-11-22)23(19,15-25)24-21(26)27/h2-7,14-15,24H,8-13H2,1H3,(H,26,27)/t23-/m1/s1.
What are the key properties of [(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid?
[(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid has a molecular weight of 395.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-formyl-6-[2-(2-methoxyethoxy)phenyl]spiro[3,4-dihydronaphthalene-2,1'-cyclopropane]-1-yl]carbamic acid is sourced from PubChem (CID 174226393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).