N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C20H31NO — CID 42892966

IUPACN-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C
InChIInChI=1S/C20H31NO/c1-12(2)5-16-17(19(16,3)4)18(22)21-20-9-13-6-14(10-20)8-15(7-13)11-20/h5,13-17H,6-11H2,1-4H3,(H,21,22)
InChIKeyJCGOYHFAMNDAGR-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.31
Rot. Bonds3

About N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 42892966) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID42892966
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C
InChIInChI=1S/C20H31NO/c1-12(2)5-16-17(19(16,3)4)18(22)21-20-9-13-6-14(10-20)8-15(7-13)11-20/h5,13-17H,6-11H2,1-4H3,(H,21,22)
InChIKeyJCGOYHFAMNDAGR-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5S)-N-(1-adamantyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxamide
CID 162674173
N-(1-adamantyl)-3,7-dimethyloct-6-enamide
CID 162655498
Icosa-5,8,11,14-tetraenoic acid adamantan-1-ylamide
CID 44589228
(1S,5R)-N-(1-adamantyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxamide
CID 172439083
(5z,9z)-N-(3,5-dimethyladamantan-1-yl)eicosa-5,9dienamide
CID 176507450
N-(1-adamantyl)cyclohex-3-ene-1-carboxamide
CID 17534531
N-(7-methyl-1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide
CID 70323627
(4E,8E,12E)-2-acetyl-N-(3,5-dimethyl-1-adamantyl)-5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
CID 89795429
(5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide
CID 121246415
N-(1-tricyclo[3.3.1.13,7]dec-3-enyl)acetamide
CID 122498972
3-acetyl-N-(3,5-dimethyl-1-adamantyl)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraenamide
CID 123292226
2-acetyl-N-(3,5-dimethyl-1-adamantyl)-5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
CID 124005122

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 42892966) is N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NC23CC4CC(CC(C4)C2)C3)C1(C)C.
What is the InChIKey of N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is JCGOYHFAMNDAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO/c1-12(2)5-16-17(19(16,3)4)18(22)21-20-9-13-6-14(10-20)8-15(7-13)11-20/h5,13-17H,6-11H2,1-4H3,(H,21,22).
What are the key properties of N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 301.47 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 42892966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).