N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide

C25H37N3O2 — CID 43956169

IUPACN-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide
SMILESCN(C)c1ccc(C(CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCOCC2)cc1
InChIInChI=1S/C25H37N3O2/c1-27(2)22-5-3-21(4-6-22)23(28-7-9-30-10-8-28)17-26-24(29)25-14-18-11-19(15-25)13-20(12-18)16-25/h3-6,18-20,23H,7-17H2,1-2H3,(H,26,29)
InChIKeySRBOTXSOJWHJDS-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.46
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide

N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide (PubChem CID 43956169) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide
PubChem CID43956169
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide
SMILESCN(C)c1ccc(C(CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCOCC2)cc1
InChIInChI=1S/C25H37N3O2/c1-27(2)22-5-3-21(4-6-22)23(28-7-9-30-10-8-28)17-26-24(29)25-14-18-11-19(15-25)13-20(12-18)16-25/h3-6,18-20,23H,7-17H2,1-2H3,(H,26,29)
InChIKeySRBOTXSOJWHJDS-UHFFFAOYSA-N
XLogP3.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 7496559
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 7496860
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 7645033
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 43842812
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide
CID 7496780
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide
CID 7496635
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]adamantane-1-carboxamide
CID 35126632
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7644905
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496721
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 7644864
N'-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 18583629
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
CID 7644877

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide (CID 43956169) is N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide is CN(C)c1ccc(C(CNC(=O)C23CC4CC(CC(C4)C2)C3)N2CCOCC2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide?
The InChIKey is SRBOTXSOJWHJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-27(2)22-5-3-21(4-6-22)23(28-7-9-30-10-8-28)17-26-24(29)25-14-18-11-19(15-25)13-20(12-18)16-25/h3-6,18-20,23H,7-17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide?
N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide has a molecular weight of 411.59 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]adamantane-1-carboxamide is sourced from PubChem (CID 43956169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).