N-methyladamantane-1-carboxamide

C12H19NO — CID 4562539

IUPACN-methyladamantane-1-carboxamide
SMILESCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NO/c1-13-11(14)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyUMLLRLQOVCOLAJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.95
Rot. Bonds1

About N-methyladamantane-1-carboxamide

N-methyladamantane-1-carboxamide (PubChem CID 4562539) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-methyladamantane-1-carboxamide
PubChem CID4562539
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-methyladamantane-1-carboxamide
SMILESCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NO/c1-13-11(14)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyUMLLRLQOVCOLAJ-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.95
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-methyladamantane-1-carboxamide?
The IUPAC name of N-methyladamantane-1-carboxamide (CID 4562539) is N-methyladamantane-1-carboxamide.
What is the SMILES notation for N-methyladamantane-1-carboxamide?
The canonical SMILES for N-methyladamantane-1-carboxamide is CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-methyladamantane-1-carboxamide?
The InChIKey is UMLLRLQOVCOLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-13-11(14)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of N-methyladamantane-1-carboxamide?
N-methyladamantane-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyladamantane-1-carboxamide is sourced from PubChem (CID 4562539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).