N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide

C20H25ClN2O3 — CID 108531425

IUPACN'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25ClN2O3/c1-11-3-16(17(26-2)7-15(11)21)22-18(24)19(25)23-20-8-12-4-13(9-20)6-14(5-12)10-20/h3,7,12-14H,4-6,8-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRACHOGXWHKUZHA-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.68
Rot. Bonds3

About N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide

N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide (PubChem CID 108531425) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide
PubChem CID108531425
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H25ClN2O3/c1-11-3-16(17(26-2)7-15(11)21)22-18(24)19(25)23-20-8-12-4-13(9-20)6-14(5-12)10-20/h3,7,12-14H,4-6,8-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyRACHOGXWHKUZHA-UHFFFAOYSA-N
XLogP3.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 17404105
4-(4-chloro-2-methoxy-5-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991531
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
N-(4-bromo-2-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532468
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 108532474
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380
N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108514881
N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532479
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108526393

Frequently Asked Questions

What is the IUPAC name of N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide (CID 108531425) is N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide is COc1cc(Cl)c(C)cc1NC(=O)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide?
The InChIKey is RACHOGXWHKUZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-11-3-16(17(26-2)7-15(11)21)22-18(24)19(25)23-20-8-12-4-13(9-20)6-14(5-12)10-20/h3,7,12-14H,4-6,8-10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide?
N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide has a molecular weight of 376.88 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)-N-(4-chloro-2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 108531425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).