N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide

C21H28N2O2 — CID 38747131

IUPACN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H28N2O2/c1-22-19(24)18-5-3-14(4-6-18)13-23(2)20(25)21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,15-17H,7-13H2,1-2H3,(H,22,24)
InChIKeyYBVURTVMGKJBQW-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.22
Rot. Bonds4

About N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide (PubChem CID 38747131) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
PubChem CID38747131
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C21H28N2O2/c1-22-19(24)18-5-3-14(4-6-18)13-23(2)20(25)21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,15-17H,7-13H2,1-2H3,(H,22,24)
InChIKeyYBVURTVMGKJBQW-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-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

4-[[(1-hydroxycyclopentanecarbonyl)-methylamino]methyl]-N-methylbenzamide
CID 110907310
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide
CID 38545209
N-methyl-4-[[methyl-[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 8964688
2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60948397
N-methyl-4-[[methyl-[2-[(1S,3S)-3-methylcyclohexyl]acetyl]amino]methyl]benzamide
CID 95349162
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 60944866
4-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]-4-oxobutanoic acid
CID 60699252
4-[[2-aminopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 54871424
4-[[2-bromopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 114014417
(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 120618816
4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide
CID 51292326
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide (CID 38747131) is N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is YBVURTVMGKJBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-22-19(24)18-5-3-14(4-6-18)13-23(2)20(25)21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,15-17H,7-13H2,1-2H3,(H,22,24).
What are the key properties of N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide?
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 38747131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).