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

C20H26N2O2 — CID 2973493

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26N2O2/c21-18(23)17(9-13-4-2-1-3-5-13)22-19(24)20-10-14-6-15(11-20)8-16(7-14)12-20/h1-5,14-17H,6-12H2,(H2,21,23)(H,22,24)
InChIKeyBGIXQRSLJHHGTK-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.42
Rot. Bonds5

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

N-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide (PubChem CID 2973493) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide
PubChem CID2973493
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26N2O2/c21-18(23)17(9-13-4-2-1-3-5-13)22-19(24)20-10-14-6-15(11-20)8-16(7-14)12-20/h1-5,14-17H,6-12H2,(H2,21,23)(H,22,24)
InChIKeyBGIXQRSLJHHGTK-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide (CID 2973493) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide is NC(=O)C(Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide?
The InChIKey is BGIXQRSLJHHGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c21-18(23)17(9-13-4-2-1-3-5-13)22-19(24)20-10-14-6-15(11-20)8-16(7-14)12-20/h1-5,14-17H,6-12H2,(H2,21,23)(H,22,24).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 2973493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).