CID 101468215

C43H39N2O2 — CID 101468215

IUPAC—
SMILESCC1(C)CC(NC(=O)c2ccc(C(=C3c4ccccc4-c4ccccc43)C3c4ccccc4-c4ccccc43)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C43H39N2O2/c1-42(2)25-29(26-43(3,4)45(42)47)44-41(46)28-23-21-27(22-24-28)38(39-34-17-9-5-13-30(34)31-14-6-10-18-35(31)39)40-36-19-11-7-15-32(36)33-16-8-12-20-37(33)40/h5-24,29,39H,25-26H2,1-4H3,(H,44,46)
InChIKeyOFWGVSOIMWIQPD-UHFFFAOYSA-N
MW615.80 g/mol
LogP9.54
Rot. Bonds4

About CID 101468215

CID 101468215 (PubChem CID 101468215) has the molecular formula C43H39N2O2 and a molecular weight of 615.80 g/mol.

Molecular Properties

Compound NameCID 101468215
PubChem CID101468215
Molecular FormulaC43H39N2O2
Molecular Weight615.80 g/mol
Exact Mass615.30
IUPAC Name—
SMILESCC1(C)CC(NC(=O)c2ccc(C(=C3c4ccccc4-c4ccccc43)C3c4ccccc4-c4ccccc43)cc2)CC(C)(C)N1[O]
InChIInChI=1S/C43H39N2O2/c1-42(2)25-29(26-43(3,4)45(42)47)44-41(46)28-23-21-27(22-24-28)38(39-34-17-9-5-13-30(34)31-14-6-10-18-35(31)39)40-36-19-11-7-15-32(36)33-16-8-12-20-37(33)40/h5-24,29,39H,25-26H2,1-4H3,(H,44,46)
InChIKeyOFWGVSOIMWIQPD-UHFFFAOYSA-N
XLogP9.54
TPSA52.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.80
LogP ≤ 59.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-N-cyclohexyl-4-N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide;ethane
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N-[(3S)-5,5-dimethyloxolan-3-yl]benzamide
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4-N-heptan-2-yl-1-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
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4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
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9H-fluoren-9-ylmethyl N-[1-hydroxy-2,2,6-trimethyl-6-[[(1S)-2-methylcyclopropyl]methyl]piperidin-4-yl]carbamate
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CID 155524810
CID 155524810
4-chloro-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide
CID 5065977
CID 72737113
CID 72737113
4-(3-oxothiochromeno[4,3-c]pyrazol-2-yl)-N-(1,2,2-trimethyl-6-methylidenepiperidin-4-yl)benzamide
CID 89318368

Frequently Asked Questions

What is the IUPAC name of CID 101468215?
The IUPAC name of CID 101468215 (CID 101468215) is not available.
What is the SMILES notation for CID 101468215?
The canonical SMILES for CID 101468215 is CC1(C)CC(NC(=O)c2ccc(C(=C3c4ccccc4-c4ccccc43)C3c4ccccc4-c4ccccc43)cc2)CC(C)(C)N1[O].
What is the InChIKey of CID 101468215?
The InChIKey is OFWGVSOIMWIQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N2O2/c1-42(2)25-29(26-43(3,4)45(42)47)44-41(46)28-23-21-27(22-24-28)38(39-34-17-9-5-13-30(34)31-14-6-10-18-35(31)39)40-36-19-11-7-15-32(36)33-16-8-12-20-37(33)40/h5-24,29,39H,25-26H2,1-4H3,(H,44,46).
What are the key properties of CID 101468215?
CID 101468215 has a molecular weight of 615.80 g/mol, XLogP of 9.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101468215 is sourced from PubChem (CID 101468215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).