N-(1-adamantyl)-4-methoxy-N-methylbenzamide

C19H25NO2 — CID 9429784

IUPACN-(1-adamantyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H25NO2/c1-20(18(21)16-3-5-17(22-2)6-4-16)19-10-13-7-14(11-19)9-15(8-13)12-19/h3-6,13-15H,7-12H2,1-2H3
InChIKeyXWOASRKUVOXXQP-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.74
Rot. Bonds3

About N-(1-adamantyl)-4-methoxy-N-methylbenzamide

N-(1-adamantyl)-4-methoxy-N-methylbenzamide (PubChem CID 9429784) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-(1-adamantyl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-methoxy-N-methylbenzamide
PubChem CID9429784
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-(1-adamantyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H25NO2/c1-20(18(21)16-3-5-17(22-2)6-4-16)19-10-13-7-14(11-19)9-15(8-13)12-19/h3-6,13-15H,7-12H2,1-2H3
InChIKeyXWOASRKUVOXXQP-UHFFFAOYSA-N
XLogP3.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-N-methylpyridine-4-carboxamide
CID 17384437
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
N-(1-adamantyl)-N-methylpyridine-3-carboxamide
CID 2971348
4-methoxy-N-methyl-N-oxidobenzamide
CID 15105733
N-[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 9046358
N-(1-adamantyl)-N-methyl-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 3415934
1-(1-adamantyl)-2-(4-methoxyphenoxy)ethanone
CID 102403256
N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 29295661
2-[1-adamantyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxyacetamide
CID 71462975
N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 46450389
(2R)-N-(1-adamantyl)-2-(4-methoxyphenoxy)propanamide
CID 42063752
1-(1-adamantyl)-3-(4-methoxyphenyl)propan-1-one
CID 135008863

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(1-adamantyl)-4-methoxy-N-methylbenzamide (CID 9429784) is N-(1-adamantyl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(1-adamantyl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(1-adamantyl)-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantyl)-4-methoxy-N-methylbenzamide?
The InChIKey is XWOASRKUVOXXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-20(18(21)16-3-5-17(22-2)6-4-16)19-10-13-7-14(11-19)9-15(8-13)12-19/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of N-(1-adamantyl)-4-methoxy-N-methylbenzamide?
N-(1-adamantyl)-4-methoxy-N-methylbenzamide has a molecular weight of 299.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 9429784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).