N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide

C22H30N2O3 — CID 29295661

IUPACN-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCOc1ccc(CN(C)C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H30N2O3/c1-24(14-15-3-5-19(27-2)6-4-15)20(25)13-23-21(26)22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,16-18H,7-14H2,1-2H3,(H,23,26)
InChIKeyNJEPCWYYXQYCIF-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.99
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 29295661) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID29295661
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCOc1ccc(CN(C)C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H30N2O3/c1-24(14-15-3-5-19(27-2)6-4-15)20(25)13-23-21(26)22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,16-18H,7-14H2,1-2H3,(H,23,26)
InChIKeyNJEPCWYYXQYCIF-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]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

N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 18112585
N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 46450389
2-(cyclopentylamino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60686888
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 8620904
N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 31835828
2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 7809187
1-(1-adamantyl)-3-(4-methoxyphenyl)propan-1-one
CID 135008863
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 31784528
2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
2-[1-(aminomethyl)cyclobutyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 81172310
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] adamantane-1-carboxylate
CID 7867134
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide
CID 38545209

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide (CID 29295661) is N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide is COc1ccc(CN(C)C(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is NJEPCWYYXQYCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-24(14-15-3-5-19(27-2)6-4-15)20(25)13-23-21(26)22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,16-18H,7-14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 29295661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).