CID 135016220

C24H37N2O5 — CID 135016220

IUPAC—
SMILESCCCCCC[C@H](C)[C@@H](OC(=O)[C@H](C)[NH])[C@@H](C)C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C24H37N2O5/c1-5-6-7-9-12-17(2)22(31-24(29)19(4)25)18(3)23(28)26-15-21(27)30-16-20-13-10-8-11-14-20/h8,10-11,13-14,17-19,22,25H,5-7,9,12,15-16H2,1-4H3,(H,26,28)/t17-,18+,19-,22+/m0/s1
InChIKeyWGTTWTVEVFFMCM-LMVRJCEZSA-N
MW433.57 g/mol
LogP3.67
Rot. Bonds14

About CID 135016220

CID 135016220 (PubChem CID 135016220) has the molecular formula C24H37N2O5 and a molecular weight of 433.57 g/mol.

Molecular Properties

Compound NameCID 135016220
PubChem CID135016220
Molecular FormulaC24H37N2O5
Molecular Weight433.57 g/mol
Exact Mass433.27
IUPAC Name—
SMILESCCCCCC[C@H](C)[C@@H](OC(=O)[C@H](C)[NH])[C@@H](C)C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C24H37N2O5/c1-5-6-7-9-12-17(2)22(31-24(29)19(4)25)18(3)23(28)26-15-21(27)30-16-20-13-10-8-11-14-20/h8,10-11,13-14,17-19,22,25H,5-7,9,12,15-16H2,1-4H3,(H,26,28)/t17-,18+,19-,22+/m0/s1
InChIKeyWGTTWTVEVFFMCM-LMVRJCEZSA-N
XLogP3.67
TPSA105.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 135016220?
The IUPAC name of CID 135016220 (CID 135016220) is not available.
What is the SMILES notation for CID 135016220?
The canonical SMILES for CID 135016220 is CCCCCC[C@H](C)[C@@H](OC(=O)[C@H](C)[NH])[C@@H](C)C(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of CID 135016220?
The InChIKey is WGTTWTVEVFFMCM-LMVRJCEZSA-N. The full InChI is InChI=1S/C24H37N2O5/c1-5-6-7-9-12-17(2)22(31-24(29)19(4)25)18(3)23(28)26-15-21(27)30-16-20-13-10-8-11-14-20/h8,10-11,13-14,17-19,22,25H,5-7,9,12,15-16H2,1-4H3,(H,26,28)/t17-,18+,19-,22+/m0/s1.
What are the key properties of CID 135016220?
CID 135016220 has a molecular weight of 433.57 g/mol, XLogP of 3.67, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135016220 is sourced from PubChem (CID 135016220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).