CID 57252552

C24H27NO2 — CID 57252552

IUPAC—
SMILESc1ccc(CN2CC[C@@]3(C[C@@H]4CC5(OCCO5)[C@@H]3c3ccccc34)C2)cc1
InChIInChI=1S/C24H27NO2/c1-2-6-18(7-3-1)16-25-11-10-23(17-25)14-19-15-24(26-12-13-27-24)22(23)21-9-5-4-8-20(19)21/h1-9,19,22H,10-17H2/t19-,22-,23-/m1/s1
InChIKeyHAYGYDLOSCNRIO-UEVCKROQSA-N
MW361.49 g/mol
LogP4.30
Rot. Bonds2

About CID 57252552

CID 57252552 (PubChem CID 57252552) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol.

Molecular Properties

Compound NameCID 57252552
PubChem CID57252552
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name—
SMILESc1ccc(CN2CC[C@@]3(C[C@@H]4CC5(OCCO5)[C@@H]3c3ccccc34)C2)cc1
InChIInChI=1S/C24H27NO2/c1-2-6-18(7-3-1)16-25-11-10-23(17-25)14-19-15-24(26-12-13-27-24)22(23)21-9-5-4-8-20(19)21/h1-9,19,22H,10-17H2/t19-,22-,23-/m1/s1
InChIKeyHAYGYDLOSCNRIO-UEVCKROQSA-N
XLogP4.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 15038880
CID 15038880
(4'aS,8'aR)-2'-benzyl-4'a-phenylspiro[1,3-dioxolane-2,6'-3,4,5,7,8,8a-hexahydro-1H-isoquinoline]
CID 15811892
(4'aR,8'aS)-2'-benzyl-4'a-phenylspiro[1,3-dioxolane-2,6'-3,4,5,7,8,8a-hexahydro-1H-isoquinoline]
CID 15811893
2'-benzyl-4'a-phenylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-isoquinoline]
CID 21219404
CID 57080109
CID 57080109
N-benzyl-N-methyl-1-[(8'R)-spiro[1,3-dioxolane-2,11'-tricyclo[6.2.2.02,7]dodeca-2,4,6-triene]-9'-yl]methanamine
CID 67857310
CID 67857320
CID 67857320
(4'aR)-2'-benzyl-4'a-phenylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-isoquinoline]
CID 141886463
N-benzyl-N-[[8-methylidene-7-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-7-yl]methyl]-1-phenylmethanamine
CID 176087567

Frequently Asked Questions

What is the IUPAC name of CID 57252552?
The IUPAC name of CID 57252552 (CID 57252552) is not available.
What is the SMILES notation for CID 57252552?
The canonical SMILES for CID 57252552 is c1ccc(CN2CC[C@@]3(C[C@@H]4CC5(OCCO5)[C@@H]3c3ccccc34)C2)cc1.
What is the InChIKey of CID 57252552?
The InChIKey is HAYGYDLOSCNRIO-UEVCKROQSA-N. The full InChI is InChI=1S/C24H27NO2/c1-2-6-18(7-3-1)16-25-11-10-23(17-25)14-19-15-24(26-12-13-27-24)22(23)21-9-5-4-8-20(19)21/h1-9,19,22H,10-17H2/t19-,22-,23-/m1/s1.
What are the key properties of CID 57252552?
CID 57252552 has a molecular weight of 361.49 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57252552 is sourced from PubChem (CID 57252552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).