2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide

C18H28N2O3 — CID 23596409

IUPAC2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1C(=O)C(N)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H28N2O3/c19-15(14(21)12-2-1-3-13(12)16(20)22)17-5-10-4-11(6-17)8-18(23,7-10)9-17/h10-13,15,23H,1-9,19H2,(H2,20,22)
InChIKeyHQVNPXKNWDBKLS-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.12
Rot. Bonds4

About 2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide

2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide (PubChem CID 23596409) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide
PubChem CID23596409
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1C(=O)C(N)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H28N2O3/c19-15(14(21)12-2-1-3-13(12)16(20)22)17-5-10-4-11(6-17)8-18(23,7-10)9-17/h10-13,15,23H,1-9,19H2,(H2,20,22)
InChIKeyHQVNPXKNWDBKLS-UHFFFAOYSA-N
XLogP1.12
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide (CID 23596409) is 2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide is NC(=O)C1CCCC1C(=O)C(N)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide?
The InChIKey is HQVNPXKNWDBKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c19-15(14(21)12-2-1-3-13(12)16(20)22)17-5-10-4-11(6-17)8-18(23,7-10)9-17/h10-13,15,23H,1-9,19H2,(H2,20,22).
What are the key properties of 2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide?
2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 23596409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).