N-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride

C15H26ClN2O- — CID 21205644

IUPACN-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride
SMILESCC(C)NCC(=O)NC12CC3CC(CC(C3)C1)C2.[Cl-]
InChIInChI=1S/C15H26N2O.ClH/c1-10(2)16-9-14(18)17-15-6-11-3-12(7-15)5-13(4-11)8-15;/h10-13,16H,3-9H2,1-2H3,(H,17,18);1H/p-1
InChIKeyCDXYCYBJUXJMMW-UHFFFAOYSA-M
MW285.84 g/mol
LogP-0.93
Rot. Bonds4

About N-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride

N-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride (PubChem CID 21205644) has the molecular formula C15H26ClN2O- and a molecular weight of 285.84 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride
PubChem CID21205644
Molecular FormulaC15H26ClN2O-
Molecular Weight285.84 g/mol
Exact Mass285.17
IUPAC NameN-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride
SMILESCC(C)NCC(=O)NC12CC3CC(CC(C3)C1)C2.[Cl-]
InChIInChI=1S/C15H26N2O.ClH/c1-10(2)16-9-14(18)17-15-6-11-3-12(7-15)5-13(4-11)8-15;/h10-13,16H,3-9H2,1-2H3,(H,17,18);1H/p-1
InChIKeyCDXYCYBJUXJMMW-UHFFFAOYSA-M
XLogP-0.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N-1-adamantyl-2-(diethylamino)-, monohydrochloride
CID 64201
1-Pyrrolidineacetamide, N-1-adamantyl-, monohydrochloride
CID 64211
1-Piperidineacetamide, N-1-adamantyl-, monohydrochloride
CID 64207
N~1~-1-adamantyl-N~2~-isopropylglycinamide hydrochloride
CID 2870223
2-(Adamantan-1-ylamino)-1-pyrrolidin-1-yl-ethanone
CID 10912330
N-(adamantan-1-yl)-2-[(2-methoxyethyl)amino]acetamide
CID 658856
N-[1-(1-adamantyl)ethyl]-2-(1-pyrrolidinyl)acetamide hydrochloride
CID 2969318
N-(1-adamantyl)-2-(2-hydroxyethylamino)acetamide;hydrochloride
CID 6603275
5-(1-Adamantyl)piperazin-2-one
CID 44430185
N-(1-adamantyl)-2-aminoacetamide;hydrobromide
CID 44522656
N-(1-adamantyl)-2-[4-[2-(tert-butylamino)ethyl]piperazin-1-yl]acetamide
CID 71519342
N-1-adamantyl-2-(1-piperidinyl)acetamide hydrochloride
CID 64208

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride?
The IUPAC name of N-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride (CID 21205644) is N-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride.
What is the SMILES notation for N-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride?
The canonical SMILES for N-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride is CC(C)NCC(=O)NC12CC3CC(CC(C3)C1)C2.[Cl-].
What is the InChIKey of N-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride?
The InChIKey is CDXYCYBJUXJMMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H26N2O.ClH/c1-10(2)16-9-14(18)17-15-6-11-3-12(7-15)5-13(4-11)8-15;/h10-13,16H,3-9H2,1-2H3,(H,17,18);1H/p-1.
What are the key properties of N-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride?
N-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride has a molecular weight of 285.84 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(propan-2-ylamino)acetamide chloride is sourced from PubChem (CID 21205644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).