N-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide

C26H30N2O2 — CID 2982669

IUPACN-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1)C(Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H30N2O2/c29-24(27-22-9-5-2-6-10-22)23(14-18-7-3-1-4-8-18)28-25(30)26-15-19-11-20(16-26)13-21(12-19)17-26/h1-10,19-21,23H,11-17H2,(H,27,29)(H,28,30)
InChIKeyIOAJEGDZVOBWKK-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.57
Rot. Bonds6

About N-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide

N-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide (PubChem CID 2982669) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide
PubChem CID2982669
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1)C(Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H30N2O2/c29-24(27-22-9-5-2-6-10-22)23(14-18-7-3-1-4-8-18)28-25(30)26-15-19-11-20(16-26)13-21(12-19)17-26/h1-10,19-21,23H,11-17H2,(H,27,29)(H,28,30)
InChIKeyIOAJEGDZVOBWKK-UHFFFAOYSA-N
XLogP4.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide (CID 2982669) is N-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide is O=C(Nc1ccccc1)C(Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide?
The InChIKey is IOAJEGDZVOBWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c29-24(27-22-9-5-2-6-10-22)23(14-18-7-3-1-4-8-18)28-25(30)26-15-19-11-20(16-26)13-21(12-19)17-26/h1-10,19-21,23H,11-17H2,(H,27,29)(H,28,30).
What are the key properties of N-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide?
N-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 2982669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).