N,3,5-trimethyladamantane-1-carboxamide

C14H23NO — CID 6468916

IUPACN,3,5-trimethyladamantane-1-carboxamide
SMILESCNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-12-4-10-5-13(2,7-12)9-14(6-10,8-12)11(16)15-3/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyJUFKSRDPLLSVQS-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.73
Rot. Bonds1

About N,3,5-trimethyladamantane-1-carboxamide

N,3,5-trimethyladamantane-1-carboxamide (PubChem CID 6468916) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N,3,5-trimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyladamantane-1-carboxamide
PubChem CID6468916
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN,3,5-trimethyladamantane-1-carboxamide
SMILESCNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C14H23NO/c1-12-4-10-5-13(2,7-12)9-14(6-10,8-12)11(16)15-3/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyJUFKSRDPLLSVQS-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide
CID 21686
Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
2-(1-adamantyl)-N-cyclopropylacetamide
CID 5116038
3,5,7-Trimethyl-1-adamantanecarboxamide
CID 2834336
2-(adamantan-1-yl)-N-methylacetamide
CID 610088
N,N-Dimethyl-1-adamantylcarboxamide
CID 137044
2-(1-adamantyl)-N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide
CID 44346643
N-[3-[3-(3-aminopropylamino)propylamino]propyl]adamantane-1-carboxamide
CID 44346832
2-(1-adamantyl)-N-(hydroxymethyl)acetamide
CID 767017
3-chloro-N-methyladamantane-1-carboxamide
CID 4389867
Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide, N-(2-(dimethylamino)ethyl)-
CID 3041449

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyladamantane-1-carboxamide?
The IUPAC name of N,3,5-trimethyladamantane-1-carboxamide (CID 6468916) is N,3,5-trimethyladamantane-1-carboxamide.
What is the SMILES notation for N,3,5-trimethyladamantane-1-carboxamide?
The canonical SMILES for N,3,5-trimethyladamantane-1-carboxamide is CNC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N,3,5-trimethyladamantane-1-carboxamide?
The InChIKey is JUFKSRDPLLSVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12-4-10-5-13(2,7-12)9-14(6-10,8-12)11(16)15-3/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N,3,5-trimethyladamantane-1-carboxamide?
N,3,5-trimethyladamantane-1-carboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyladamantane-1-carboxamide is sourced from PubChem (CID 6468916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).