N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide

C18H31N3O2 — CID 3236105

IUPACN-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCN(C)C
InChIInChI=1S/C18H31N3O2/c1-12(16(22)19-4-5-21(2)3)20-17(23)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,4-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyXOIVLXGUDVXAJJ-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.39
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide

N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide (PubChem CID 3236105) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide
PubChem CID3236105
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC NameN-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCN(C)C
InChIInChI=1S/C18H31N3O2/c1-12(16(22)19-4-5-21(2)3)20-17(23)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,4-11H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyXOIVLXGUDVXAJJ-UHFFFAOYSA-N
XLogP1.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide (CID 3236105) is N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide is CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCN(C)C.
What is the InChIKey of N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
The InChIKey is XOIVLXGUDVXAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-12(16(22)19-4-5-21(2)3)20-17(23)18-9-13-6-14(10-18)8-15(7-13)11-18/h12-15H,4-11H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide?
N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 3236105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).