N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide

C22H30N2O5 — CID 90624340

IUPACN'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC2(OC)C3CC4CC(C3)CC2C4)c(OC)c1
InChIInChI=1S/C22H30N2O5/c1-27-17-4-5-18(19(11-17)28-2)24-21(26)20(25)23-12-22(29-3)15-7-13-6-14(9-15)10-16(22)8-13/h4-5,11,13-16H,6-10,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyBPHCMQUDIDFECO-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.60
Rot. Bonds6

About N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide

N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide (PubChem CID 90624340) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide
PubChem CID90624340
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC NameN'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC2(OC)C3CC4CC(C3)CC2C4)c(OC)c1
InChIInChI=1S/C22H30N2O5/c1-27-17-4-5-18(19(11-17)28-2)24-21(26)20(25)23-12-22(29-3)15-7-13-6-14(9-15)10-16(22)8-13/h4-5,11,13-16H,6-10,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyBPHCMQUDIDFECO-UHFFFAOYSA-N
XLogP2.60
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
N-[(2-methoxy-2-adamantyl)methyl]-N'-(2-methyl-5-nitrophenyl)oxamide
CID 90624337
2,6-dimethoxy-N-[(2-methoxy-2-adamantyl)methyl]benzamide
CID 90624123
N'-(2,4-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44998130
N'-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2274190
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 44998127
N'-(2,4-dimethoxyphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 90499706
N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454099
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
N'-(2,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 3220610

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide (CID 90624340) is N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide is COc1ccc(NC(=O)C(=O)NCC2(OC)C3CC4CC(C3)CC2C4)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide?
The InChIKey is BPHCMQUDIDFECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-27-17-4-5-18(19(11-17)28-2)24-21(26)20(25)23-12-22(29-3)15-7-13-6-14(9-15)10-16(22)8-13/h4-5,11,13-16H,6-10,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide?
N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide has a molecular weight of 402.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide is sourced from PubChem (CID 90624340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).