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

C16H26N2O2 — CID 2834605

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)C
InChIInChI=1S/C16H26N2O2/c1-10(14(19)18(2)3)17-15(20)16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13H,4-9H2,1-3H3,(H,17,20)
InChIKeyYBMWGNIBPOIYQV-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.80
Rot. Bonds3

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

N-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide (PubChem CID 2834605) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
PubChem CID2834605
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
SMILESCC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)C
InChIInChI=1S/C16H26N2O2/c1-10(14(19)18(2)3)17-15(20)16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13H,4-9H2,1-3H3,(H,17,20)
InChIKeyYBMWGNIBPOIYQV-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide (CID 2834605) is N-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide is CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide?
The InChIKey is YBMWGNIBPOIYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-10(14(19)18(2)3)17-15(20)16-7-11-4-12(8-16)6-13(5-11)9-16/h10-13H,4-9H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 2834605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).