N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide

C28H41N3O3 — CID 24505107

IUPACN-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide
SMILESCc1ccc(C(CN2CCOCC2)NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C28H41N3O3/c1-20-4-6-24(7-5-20)25(19-31-9-11-34-12-10-31)30-26(32)3-2-8-29-27(33)28-16-21-13-22(17-28)15-23(14-21)18-28/h4-7,21-23,25H,2-3,8-19H2,1H3,(H,29,33)(H,30,32)
InChIKeyXEIMALXIBDCVHK-UHFFFAOYSA-N
MW467.65 g/mol
LogP3.60
Rot. Bonds9

About N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide

N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide (PubChem CID 24505107) has the molecular formula C28H41N3O3 and a molecular weight of 467.65 g/mol. Its IUPAC name is N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide
PubChem CID24505107
Molecular FormulaC28H41N3O3
Molecular Weight467.65 g/mol
Exact Mass467.31
IUPAC NameN-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide
SMILESCc1ccc(C(CN2CCOCC2)NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C28H41N3O3/c1-20-4-6-24(7-5-20)25(19-31-9-11-34-12-10-31)30-26(32)3-2-8-29-27(33)28-16-21-13-22(17-28)15-23(14-21)18-28/h4-7,21-23,25H,2-3,8-19H2,1H3,(H,29,33)(H,30,32)
InChIKeyXEIMALXIBDCVHK-UHFFFAOYSA-N
XLogP3.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.65
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]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-[4-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-4-oxobutyl]adamantane-1-carboxamide
CID 31446028
3-(4-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 9144843
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-ylacetamide
CID 51925350
N-[4-(benzhydrylamino)-4-oxobutyl]adamantane-1-carboxamide
CID 9398026
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
CID 2862149
2-(3,4-dimethylphenoxy)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24505048
4-(4-ethoxyphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxobutanamide
CID 9144519
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
(E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9144799
2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144717

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide (CID 24505107) is N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide is Cc1ccc(C(CN2CCOCC2)NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide?
The InChIKey is XEIMALXIBDCVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O3/c1-20-4-6-24(7-5-20)25(19-31-9-11-34-12-10-31)30-26(32)3-2-8-29-27(33)28-16-21-13-22(17-28)15-23(14-21)18-28/h4-7,21-23,25H,2-3,8-19H2,1H3,(H,29,33)(H,30,32).
What are the key properties of N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide?
N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide has a molecular weight of 467.65 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide is sourced from PubChem (CID 24505107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).