CID 22964430

C30H57N5O4Si — CID 22964430

IUPAC—
SMILESCCO[Si]CCCNC(=O)N(CCN(CCNC)C(=O)CCCCCCCC1=CC(C)CC(C(C)=O)C1)C(C)N
InChIInChI=1S/C30H57N5O4Si/c1-6-39-40-20-12-15-33-30(38)35(26(4)31)19-18-34(17-16-32-5)29(37)14-11-9-7-8-10-13-27-21-24(2)22-28(23-27)25(3)36/h21,24,26,28,32H,6-20,22-23,31H2,1-5H3,(H,33,38)
InChIKeyGFQAPKCXSNLTEB-UHFFFAOYSA-N
MW579.90 g/mol
LogP4.11
Rot. Bonds22

About CID 22964430

CID 22964430 (PubChem CID 22964430) has the molecular formula C30H57N5O4Si and a molecular weight of 579.90 g/mol.

Molecular Properties

Compound NameCID 22964430
PubChem CID22964430
Molecular FormulaC30H57N5O4Si
Molecular Weight579.90 g/mol
Exact Mass579.42
IUPAC Name—
SMILESCCO[Si]CCCNC(=O)N(CCN(CCNC)C(=O)CCCCCCCC1=CC(C)CC(C(C)=O)C1)C(C)N
InChIInChI=1S/C30H57N5O4Si/c1-6-39-40-20-12-15-33-30(38)35(26(4)31)19-18-34(17-16-32-5)29(37)14-11-9-7-8-10-13-27-21-24(2)22-28(23-27)25(3)36/h21,24,26,28,32H,6-20,22-23,31H2,1-5H3,(H,33,38)
InChIKeyGFQAPKCXSNLTEB-UHFFFAOYSA-N
XLogP4.11
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.90
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[(1S,4S,5S)-4-[(ethylcarbamoylamino)methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
CID 38027404
5-Hexyl-3-[8-[2-[2-(methylamino)ethyl-[(3-triethoxysilylpropylamino)methyl]amino]ethylamino]-8-oxooctyl]cyclohex-3-ene-1-carboxylic acid
CID 22964421
8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide
CID 22964424
8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide
CID 22964425
8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide
CID 22964426
8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethylamino]ethyl]octanamide
CID 22964427
8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[3-(3-triethoxysilylpropylcarbamoylamino)propyl]octanamide
CID 22964428
8-(5-acetyl-3-methylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]octanamide
CID 22964431
8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide
CID 22964432
CID 59905341
CID 59905341
CID 59905342
CID 59905342
8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide
CID 123321392

Frequently Asked Questions

What is the IUPAC name of CID 22964430?
The IUPAC name of CID 22964430 (CID 22964430) is not available.
What is the SMILES notation for CID 22964430?
The canonical SMILES for CID 22964430 is CCO[Si]CCCNC(=O)N(CCN(CCNC)C(=O)CCCCCCCC1=CC(C)CC(C(C)=O)C1)C(C)N.
What is the InChIKey of CID 22964430?
The InChIKey is GFQAPKCXSNLTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57N5O4Si/c1-6-39-40-20-12-15-33-30(38)35(26(4)31)19-18-34(17-16-32-5)29(37)14-11-9-7-8-10-13-27-21-24(2)22-28(23-27)25(3)36/h21,24,26,28,32H,6-20,22-23,31H2,1-5H3,(H,33,38).
What are the key properties of CID 22964430?
CID 22964430 has a molecular weight of 579.90 g/mol, XLogP of 4.11, 22 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22964430 is sourced from PubChem (CID 22964430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).