N-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide

C18H24N2O4 — CID 121286772

IUPACN-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide
SMILESO=CNC1CC2CC2N1C(=O)C(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H24N2O4/c21-9-19-14-3-12-2-13(12)20(14)16(23)15(22)17-4-10-1-11(5-17)7-18(24,6-10)8-17/h9-14,24H,1-8H2,(H,19,21)
InChIKeyNAIUKUGAFJQHQW-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.58
Rot. Bonds4

About N-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide

N-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide (PubChem CID 121286772) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide.

Molecular Properties

Compound NameN-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide
PubChem CID121286772
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide
SMILESO=CNC1CC2CC2N1C(=O)C(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H24N2O4/c21-9-19-14-3-12-2-13(12)20(14)16(23)15(22)17-4-10-1-11(5-17)7-18(24,6-10)8-17/h9-14,24H,1-8H2,(H,19,21)
InChIKeyNAIUKUGAFJQHQW-UHFFFAOYSA-N
XLogP0.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(1S,5S)-2-[2-[(5S,7S)-3-hydroxy-1-adamantyl]-2-oxoacetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 140711071
N-[(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-1-[(5S,7R)-3-hydroxy-1-adamantyl]-2-oxoethyl]formamide
CID 169440760
(5S,7R)-3-hydroxyadamantane-1-carbohydrazide
CID 24721604
1-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2,3-dihydropyrrole-2-carboxamide
CID 86582260
2-(3-hydroxy-1-adamantyl)-1-[(1S,3R,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 126694360
2-[2-benzylimino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 86582575
(1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 175673320
(2S)-2-amino-2-(3-hydroxy-1-adamantyl)-1-[(1S,3R,5S)-3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 59264906
(3S,5S)-2-[2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 90287705
(1R,3S,5R)-2-[2-amino-2-[(5S)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 134694638
(1S,3S,5S)-2-[(2S)-2-amino-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile;dihydrate;hydrochloride
CID 56953550
2-(3-hydroxy-1-adamantyl)-1-(3-isocyano-2-azabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-one;2-(3-hydroxy-1-adamantyl)-1-(2-isocyano-2,3-dihydropyrrol-1-yl)prop-2-en-1-one;1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide
CID 159670155

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide?
The IUPAC name of N-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide (CID 121286772) is N-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide.
What is the SMILES notation for N-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide?
The canonical SMILES for N-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide is O=CNC1CC2CC2N1C(=O)C(=O)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of N-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide?
The InChIKey is NAIUKUGAFJQHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-9-19-14-3-12-2-13(12)20(14)16(23)15(22)17-4-10-1-11(5-17)7-18(24,6-10)8-17/h9-14,24H,1-8H2,(H,19,21).
What are the key properties of N-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide?
N-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide has a molecular weight of 332.40 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-hydroxy-1-adamantyl)-2-oxoacetyl]-2-azabicyclo[3.1.0]hexan-3-yl]formamide is sourced from PubChem (CID 121286772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).