N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide

C17H28N2O2 — CID 75361888

IUPACN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2/c1-16(2,14(20)18-3)10-19-15(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,4-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDHEFEXDFGOSVCP-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.09
Rot. Bonds4

About N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide

N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 75361888) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide
PubChem CID75361888
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H28N2O2/c1-16(2,14(20)18-3)10-19-15(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,4-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyDHEFEXDFGOSVCP-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide
CID 111483676
N-[3-(dimethylamino)-2,2-dimethylpropyl]adamantane-1-carboxamide
CID 134008139
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]adamantane-1-carboxamide
CID 111481019
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781
N-[3-(tert-butylamino)-3-oxopropyl]adamantane-1-carboxamide
CID 51175569
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18118534
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
CID 7106778
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
N-(1-bromo-2-methylpropan-2-yl)adamantane-1-carboxamide
CID 114307951
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3258718
4-(aminomethyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide
CID 106275847
N-[(2-methylpropan-2-yl)oxy]adamantane-1-carboxamide
CID 10868753

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide (CID 75361888) is N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide is CNC(=O)C(C)(C)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is DHEFEXDFGOSVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-16(2,14(20)18-3)10-19-15(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,4-10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide?
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 75361888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).