N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide

C19H25NO3 — CID 168652825

IUPACN-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide
SMILESCOc1cc(NC=O)c(C23CC4CC(CC(C4)C2)C3)cc1OC
InChIInChI=1S/C19H25NO3/c1-22-17-6-15(16(20-11-21)7-18(17)23-2)19-8-12-3-13(9-19)5-14(4-12)10-19/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,20,21)
InChIKeyWYBIIFUQDQTMGG-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.74
Rot. Bonds5

About N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide

N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide (PubChem CID 168652825) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide
PubChem CID168652825
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC NameN-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide
SMILESCOc1cc(NC=O)c(C23CC4CC(CC(C4)C2)C3)cc1OC
InChIInChI=1S/C19H25NO3/c1-22-17-6-15(16(20-11-21)7-18(17)23-2)19-8-12-3-13(9-19)5-14(4-12)10-19/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,20,21)
InChIKeyWYBIIFUQDQTMGG-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]-4-methylbenzenesulfonamide
CID 169372072
5-(1-adamantyl)-4-methoxy-2-methylbenzaldehyde
CID 88525555
1-(5-isocyanato-2-methoxyphenyl)adamantane
CID 169355819
1-(2-methoxy-5-nitrophenyl)adamantane
CID 5305343
[5-(1-adamantyl)-4-methoxy-2-methylphenyl]boronic acid
CID 22345460
1-[3-(1-adamantyl)-2-methoxy-5-methylphenyl]adamantane
CID 168737597
N-(4,5-dimethoxy-2-prop-1-en-2-ylphenyl)formamide
CID 165346221
N-(4-chloro-2-cyclopropyl-5-methoxyphenyl)formamide
CID 168652048
[4-(1-adamantyl)-3-methoxyphenyl]methanol
CID 54143091
1-(2-methoxy-5-phenylphenyl)adamantane
CID 67688498
1-[5-(bromomethyl)-2-methoxyphenyl]adamantane
CID 19068276
[[3-(1-adamantyl)-4-hydroxy-5-methoxyphenyl]methylideneamino]urea
CID 168533163

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide?
The IUPAC name of N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide (CID 168652825) is N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide.
What is the SMILES notation for N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide?
The canonical SMILES for N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide is COc1cc(NC=O)c(C23CC4CC(CC(C4)C2)C3)cc1OC.
What is the InChIKey of N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide?
The InChIKey is WYBIIFUQDQTMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-22-17-6-15(16(20-11-21)7-18(17)23-2)19-8-12-3-13(9-19)5-14(4-12)10-19/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide?
N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide has a molecular weight of 315.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]formamide is sourced from PubChem (CID 168652825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).