CID 51425332

C26H35NO7 — CID 51425332

IUPAC—
SMILESCCOc1ccccc1NC(=O)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21
InChIInChI=1S/C26H35NO7/c1-2-29-18-12-6-5-11-17(18)27-23(28)21-19-20(32-25(31-19)13-7-3-8-14-25)22-24(30-21)34-26(33-22)15-9-4-10-16-26/h5-6,11-12,19-22,24H,2-4,7-10,13-16H2,1H3,(H,27,28)/t19-,20+,21-,22-,24+/m1/s1
InChIKeyBRHCYBCSCYNYAA-NBTNLBJRSA-N
MW473.57 g/mol
LogP4.27
Rot. Bonds4

About CID 51425332

CID 51425332 (PubChem CID 51425332) has the molecular formula C26H35NO7 and a molecular weight of 473.57 g/mol.

Molecular Properties

Compound NameCID 51425332
PubChem CID51425332
Molecular FormulaC26H35NO7
Molecular Weight473.57 g/mol
Exact Mass473.24
IUPAC Name—
SMILESCCOc1ccccc1NC(=O)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21
InChIInChI=1S/C26H35NO7/c1-2-29-18-12-6-5-11-17(18)27-23(28)21-19-20(32-25(31-19)13-7-3-8-14-25)22-24(30-21)34-26(33-22)15-9-4-10-16-26/h5-6,11-12,19-22,24H,2-4,7-10,13-16H2,1H3,(H,27,28)/t19-,20+,21-,22-,24+/m1/s1
InChIKeyBRHCYBCSCYNYAA-NBTNLBJRSA-N
XLogP4.27
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze CID 51425332 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

(1S,2R,6R,8R,9R)-4,4,11,11-tetramethyl-N-(2-pentoxyphenyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 124772160
(1R,2R,6R,8R,9R)-4,4,11,11-tetramethyl-N-[2-(2-methylpropoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 100885978
(1S,2R,6R,8R,9R)-4,4,11,11-tetramethyl-N-[2-(2-methylpropoxy)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 124832984
CID 3625177
CID 3625177
(1S,2R,6R,8S,9R)-N-(2-hydroxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 11874612
(1S,2R,6R,8R,9R)-4,4,11,11-tetramethyl-N-(2-methylphenyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 124711607
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228
(1S,2S,6S,8S,9R)-N-(2-iodophenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 92693577
CID 92508900
CID 92508900
2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 31616843
CID 21206001
CID 21206001
N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
CID 110860155

Frequently Asked Questions

What is the IUPAC name of CID 51425332?
The IUPAC name of CID 51425332 (CID 51425332) is not available.
What is the SMILES notation for CID 51425332?
The canonical SMILES for CID 51425332 is CCOc1ccccc1NC(=O)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21.
What is the InChIKey of CID 51425332?
The InChIKey is BRHCYBCSCYNYAA-NBTNLBJRSA-N. The full InChI is InChI=1S/C26H35NO7/c1-2-29-18-12-6-5-11-17(18)27-23(28)21-19-20(32-25(31-19)13-7-3-8-14-25)22-24(30-21)34-26(33-22)15-9-4-10-16-26/h5-6,11-12,19-22,24H,2-4,7-10,13-16H2,1H3,(H,27,28)/t19-,20+,21-,22-,24+/m1/s1.
What are the key properties of CID 51425332?
CID 51425332 has a molecular weight of 473.57 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 51425332 is sourced from PubChem (CID 51425332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).