N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide

C26H30N2O2 — CID 54787602

IUPACN-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILESCC(NC(=O)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccccc1
InChIInChI=1S/C26H30N2O2/c1-17(21-6-3-2-4-7-21)27-24(29)22-8-5-9-23(13-22)28-25(30)26-14-18-10-19(15-26)12-20(11-18)16-26/h2-9,13,17-20H,10-12,14-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyWXDBTHWXXGDRGQ-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.33
Rot. Bonds5

About N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide

N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide (PubChem CID 54787602) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide
PubChem CID54787602
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide
SMILESCC(NC(=O)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccccc1
InChIInChI=1S/C26H30N2O2/c1-17(21-6-3-2-4-7-21)27-24(29)22-8-5-9-23(13-22)28-25(30)26-14-18-10-19(15-26)12-20(11-18)16-26/h2-9,13,17-20H,10-12,14-16H2,1H3,(H,27,29)(H,28,30)
InChIKeyWXDBTHWXXGDRGQ-UHFFFAOYSA-N
XLogP5.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336
N-[3-(1-acetamidoethyl)phenyl]adamantane-1-carboxamide
CID 16762867
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787575
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
2-iodo-N-[3-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43877730
3-bromo-N-[3-(methylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 16550312
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877795
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide (CID 54787602) is N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide is CC(NC(=O)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)c1ccccc1.
What is the InChIKey of N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide?
The InChIKey is WXDBTHWXXGDRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-17(21-6-3-2-4-7-21)27-24(29)22-8-5-9-23(13-22)28-25(30)26-14-18-10-19(15-26)12-20(11-18)16-26/h2-9,13,17-20H,10-12,14-16H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide?
N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 54787602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).