N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide

C25H24N2O2 — CID 166410277

IUPACN-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide
SMILESCc1cccc(NC(=O)C23C4C5C6C4C2C6C53)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C25H24N2O2/c1-12-6-5-9-14(15(12)23(28)26-11-10-13-7-3-2-4-8-13)27-24(29)25-20-17-16-18(20)22(25)19(16)21(17)25/h2-9,16-22H,10-11H2,1H3,(H,26,28)(H,27,29)
InChIKeyYUWHMFYWMWNBMH-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.27
Rot. Bonds6

About N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide

N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide (PubChem CID 166410277) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide
PubChem CID166410277
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide
SMILESCc1cccc(NC(=O)C23C4C5C6C4C2C6C53)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C25H24N2O2/c1-12-6-5-9-14(15(12)23(28)26-11-10-13-7-3-2-4-8-13)27-24(29)25-20-17-16-18(20)22(25)19(16)21(17)25/h2-9,16-22H,10-11H2,1H3,(H,26,28)(H,27,29)
InChIKeyYUWHMFYWMWNBMH-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055274
4,6-dimethyl-N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 167954493
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
CID 2973801
1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109055685
2-(2-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1440949
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109047991
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
2-[3-(4-methylphenyl)prop-2-enoylamino]-N-(2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3333012
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
CID 1109048
1-N-(2-phenylethyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977138

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide?
The IUPAC name of N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide (CID 166410277) is N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide.
What is the SMILES notation for N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide?
The canonical SMILES for N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide is Cc1cccc(NC(=O)C23C4C5C6C4C2C6C53)c1C(=O)NCCc1ccccc1.
What is the InChIKey of N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide?
The InChIKey is YUWHMFYWMWNBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-12-6-5-9-14(15(12)23(28)26-11-10-13-7-3-2-4-8-13)27-24(29)25-20-17-16-18(20)22(25)19(16)21(17)25/h2-9,16-22H,10-11H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide?
N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(2-phenylethylcarbamoyl)phenyl]cubane-1-carboxamide is sourced from PubChem (CID 166410277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).