N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide

C33H30N2O6 — CID 66710123

IUPACN-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(C2OCC3(CO2)COC(c2ccc(C(=O)Nc4ccccc4)cc2)OC3)cc1
InChIInChI=1S/C33H30N2O6/c36-29(34-27-7-3-1-4-8-27)23-11-15-25(16-12-23)31-38-19-33(20-39-31)21-40-32(41-22-33)26-17-13-24(14-18-26)30(37)35-28-9-5-2-6-10-28/h1-18,31-32H,19-22H2,(H,34,36)(H,35,37)
InChIKeyJPAOWMBEWLEQRX-UHFFFAOYSA-N
MW550.61 g/mol
LogP5.97
Rot. Bonds6

About N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide

N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide (PubChem CID 66710123) has the molecular formula C33H30N2O6 and a molecular weight of 550.61 g/mol. Its IUPAC name is N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide.

Molecular Properties

Compound NameN-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide
PubChem CID66710123
Molecular FormulaC33H30N2O6
Molecular Weight550.61 g/mol
Exact Mass550.21
IUPAC NameN-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(C2OCC3(CO2)COC(c2ccc(C(=O)Nc4ccccc4)cc2)OC3)cc1
InChIInChI=1S/C33H30N2O6/c36-29(34-27-7-3-1-4-8-27)23-11-15-25(16-12-23)31-38-19-33(20-39-31)21-40-32(41-22-33)26-17-13-24(14-18-26)30(37)35-28-9-5-2-6-10-28/h1-18,31-32H,19-22H2,(H,34,36)(H,35,37)
InChIKeyJPAOWMBEWLEQRX-UHFFFAOYSA-N
XLogP5.97
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.61
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110745346
N-octadecyl-4-[3-[4-(octadecylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide
CID 87119815
N-dodecyl-4-[3-[4-(dodecylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide
CID 66710204
N-phenyl-4-[12-[4-(phenylcarbamoyl)phenyl]-1,2,3,4,5,6,7,8,9,10-decaboracyclododec-11-yl]benzamide
CID 3089248
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228
4-(phenylcarbamoyl)benzoate
CID 158012761
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-phenylbenzamide
CID 27903297
4-[3-(N-methylanilino)oxiran-2-yl]-N-phenylbenzamide
CID 123496661
4-phenyl-N-[4-(2-phenylcyclopropyl)phenyl]benzamide
CID 144638374

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide?
The IUPAC name of N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide (CID 66710123) is N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide.
What is the SMILES notation for N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide?
The canonical SMILES for N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide is O=C(Nc1ccccc1)c1ccc(C2OCC3(CO2)COC(c2ccc(C(=O)Nc4ccccc4)cc2)OC3)cc1.
What is the InChIKey of N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide?
The InChIKey is JPAOWMBEWLEQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O6/c36-29(34-27-7-3-1-4-8-27)23-11-15-25(16-12-23)31-38-19-33(20-39-31)21-40-32(41-22-33)26-17-13-24(14-18-26)30(37)35-28-9-5-2-6-10-28/h1-18,31-32H,19-22H2,(H,34,36)(H,35,37).
What are the key properties of N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide?
N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide has a molecular weight of 550.61 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[3-[4-(phenylcarbamoyl)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]benzamide is sourced from PubChem (CID 66710123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).