N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide

C24H36N2O2 — CID 112843362

IUPACN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)cc1
InChIInChI=1S/C24H36N2O2/c1-22-11-19-12-23(2,15-22)17-24(13-19,16-22)21(27)25-14-18-5-7-20(8-6-18)28-10-9-26(3)4/h5-8,19H,9-17H2,1-4H3,(H,25,27)
InChIKeyCRKCHLDRBMKDRB-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.24
Rot. Bonds7

About N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide

N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide (PubChem CID 112843362) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide
PubChem CID112843362
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)cc1
InChIInChI=1S/C24H36N2O2/c1-22-11-19-12-23(2,15-22)17-24(13-19,16-22)21(27)25-14-18-5-7-20(8-6-18)28-10-9-26(3)4/h5-8,19H,9-17H2,1-4H3,(H,25,27)
InChIKeyCRKCHLDRBMKDRB-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 46982222
(3S,5S)-N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98237435
1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845701
3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide
CID 112829756
3,5-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]adamantane-1-carboxamide
CID 112837522
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3,5-dimethyladamantane-1-carboxamide
CID 112846085
(3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98331377
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119845776
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55858752
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide (CID 112843362) is N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide is CN(C)CCOc1ccc(CNC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)cc1.
What is the InChIKey of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is CRKCHLDRBMKDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-22-11-19-12-23(2,15-22)17-24(13-19,16-22)21(27)25-14-18-5-7-20(8-6-18)28-10-9-26(3)4/h5-8,19H,9-17H2,1-4H3,(H,25,27).
What are the key properties of N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide?
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 384.56 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 112843362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).