4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide

C33H55N5O9Si2 — CID 155657712

IUPAC4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide
SMILESCCO[Si](CCCNC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)NCCC[Si](OCC)(OCC)OCC)cc2)cc1)(OCC)OCC
InChIInChI=1S/C33H55N5O9Si2/c1-7-42-48(43-8-2,44-9-3)25-13-23-34-32(40)37-29-17-15-27(16-18-29)31(39)36-28-19-21-30(22-20-28)38-33(41)35-24-14-26-49(45-10-4,46-11-5)47-12-6/h15-22H,7-14,23-26H2,1-6H3,(H,36,39)(H2,34,37,40)(H2,35,38,41)
InChIKeyALLPWHHOACMTDU-UHFFFAOYSA-N
MW722.00 g/mol
LogP6.06
Rot. Bonds24

About 4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide

4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide (PubChem CID 155657712) has the molecular formula C33H55N5O9Si2 and a molecular weight of 722.00 g/mol. Its IUPAC name is 4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide
PubChem CID155657712
Molecular FormulaC33H55N5O9Si2
Molecular Weight722.00 g/mol
Exact Mass721.35
IUPAC Name4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide
SMILESCCO[Si](CCCNC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)NCCC[Si](OCC)(OCC)OCC)cc2)cc1)(OCC)OCC
InChIInChI=1S/C33H55N5O9Si2/c1-7-42-48(43-8-2,44-9-3)25-13-23-34-32(40)37-29-17-15-27(16-18-29)31(39)36-28-19-21-30(22-20-28)38-33(41)35-24-14-26-49(45-10-4,46-11-5)47-12-6/h15-22H,7-14,23-26H2,1-6H3,(H,36,39)(H2,34,37,40)(H2,35,38,41)
InChIKeyALLPWHHOACMTDU-UHFFFAOYSA-N
XLogP6.06
TPSA166.74 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.00
LogP ≤ 56.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-(4-sulfamoylphenyl)-3-(3-triethoxysilylpropyl)urea
CID 102277551
2-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]sulfonylacetate
CID 58871446
2-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]sulfonylacetic acid
CID 58871447
1-[4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]phenyl]-3-(3-triethoxysilylpropyl)urea
CID 59002407
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
4-(butylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180623
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
4-[4-carboxy-3-[[4-[4-[2-[4-[4-[[2-carboxy-5-[4-carboxy-3-(3-triethoxysilylpropylcarbamoyl)benzoyl]benzoyl]amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]carbamoyl]benzoyl]-2-(3-triethoxysilylpropylcarbamoyl)benzoic acid
CID 177464638
1-[6-(methoxymethoxy)-5-[2-(methoxymethoxy)-6-(3-triethoxysilylpropylcarbamoylamino)naphthalen-1-yl]naphthalen-2-yl]-3-(3-triethoxysilylpropyl)urea
CID 25031392
1-octyl-3-(3-triethoxysilylpropyl)urea
CID 102048521

Frequently Asked Questions

What is the IUPAC name of 4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide (CID 155657712) is 4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide is CCO[Si](CCCNC(=O)Nc1ccc(NC(=O)c2ccc(NC(=O)NCCC[Si](OCC)(OCC)OCC)cc2)cc1)(OCC)OCC.
What is the InChIKey of 4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide?
The InChIKey is ALLPWHHOACMTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H55N5O9Si2/c1-7-42-48(43-8-2,44-9-3)25-13-23-34-32(40)37-29-17-15-27(16-18-29)31(39)36-28-19-21-30(22-20-28)38-33(41)35-24-14-26-49(45-10-4,46-11-5)47-12-6/h15-22H,7-14,23-26H2,1-6H3,(H,36,39)(H2,34,37,40)(H2,35,38,41).
What are the key properties of 4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide?
4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide has a molecular weight of 722.00 g/mol, XLogP of 6.06, 24 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 155657712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).